diff --git a/assets/outputs/bands.out b/assets/outputs/bands.out deleted file mode 100644 index a14af616..00000000 --- a/assets/outputs/bands.out +++ /dev/null @@ -1,3079 +0,0 @@ - - Program PWSCF v.6.0 (svn rev. 13079) starts on 13Jan2017 at 10:30: 9 - - This program is part of the open-source Quantum ESPRESSO suite - for quantum simulation of materials; please cite - "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); - URL http://www.quantum-espresso.org", - in publications or presentations arising from this work. More details at - http://www.quantum-espresso.org/quote - - Parallel version (MPI), running on 24 processors - R & G space division: proc/nbgrp/npool/nimage = 24 - Waiting for input... - Reading input from standard input -Warning: card &IONS ignored -Warning: card ION_DYNAMICS='BFGS', ignored -Warning: card / ignored -Warning: card &CELL ignored -Warning: card CELL_DYNAMICS = 'BFGS' ignored -Warning: card PRESS = 0 ignored -Warning: card / ignored - - Current dimensions of program PWSCF are: - Max number of different atomic species (ntypx) = 10 - Max number of k-points (npk) = 40000 - Max angular momentum in pseudopotentials (lmaxx) = 3 - - Atomic positions and unit cell read from directory: - ./pwo.save/ - - file Ge.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF: wavefunction(s) 4P 4P 3D renormalized - file Te.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF: wavefunction(s) 5S 5P 4D 4D renormalized - - Subspace diagonalization in iterative solution of the eigenvalue problem: - one sub-group per band group will be used - scalapack distributed-memory algorithm (size of sub-group: 3* 3 procs) - - - Parallelization info - -------------------- - sticks: dense smooth PW G-vecs: dense smooth PW - Min 46 20 6 1004 297 57 - Max 47 21 7 1007 301 62 - Sum 1109 499 163 24123 7181 1447 - - - - bravais-lattice index = 0 - lattice parameter (alat) = 8.0899 a.u. - unit-cell volume = 360.3090 (a.u.)^3 - number of atoms/cell = 2 - number of atomic types = 2 - number of electrons = 30.00 - number of Kohn-Sham states= 48 - kinetic-energy cutoff = 28.0000 Ry - charge density cutoff = 250.0000 Ry - Exchange-correlation = SLA PW PSX PSC ( 1 4 10 8 0 0) - Non magnetic calculation with spin-orbit - - - celldm(1)= 8.089908 celldm(2)= 0.000000 celldm(3)= 0.000000 - celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 - - crystal axes: (cart. coord. in units of alat) - a(1) = ( -0.826483 0.000000 0.562962 ) - a(2) = ( -0.826483 0.487540 -0.281481 ) - a(3) = ( -0.826483 -0.487540 -0.281481 ) - - reciprocal axes: (cart. coord. in units 2 pi/alat) - b(1) = ( -0.403316 0.000000 1.184212 ) - b(2) = ( -0.403316 1.025558 -0.592106 ) - b(3) = ( -0.403316 -1.025558 -0.592106 ) - - - PseudoPot. # 1 for Ge read from file: - ./Ge.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF - MD5 check sum: 8befc74f4e76b3bdedbeeed072d6d0b3 - Pseudo is Projector augmented-wave + core cor, Zval = 14.0 - Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 - Shape of augmentation charge: PSQ - Using radial grid of 1207 points, 10 beta functions with: - l(1) = 0 - l(2) = 0 - l(3) = 1 - l(4) = 1 - l(5) = 1 - l(6) = 1 - l(7) = 2 - l(8) = 2 - l(9) = 2 - l(10) = 2 - Q(r) pseudized with 0 coefficients - - - PseudoPot. # 2 for Te read from file: - ./Te.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF - MD5 check sum: 044fef1d4fb1505d1391827d062c76ed - Pseudo is Projector augmented-wave + core cor, Zval = 16.0 - Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 - Shape of augmentation charge: PSQ - Using radial grid of 1245 points, 10 beta functions with: - l(1) = 0 - l(2) = 0 - l(3) = 1 - l(4) = 1 - l(5) = 1 - l(6) = 1 - l(7) = 2 - l(8) = 2 - l(9) = 2 - l(10) = 2 - Q(r) pseudized with 0 coefficients - - - atomic species valence mass pseudopotential - Ge 14.00 50.00000 Ge( 1.00) - Te 16.00 50.00000 Te( 1.00) - - No symmetry found - - - s frac. trans. - - isym = 1 identity - - cryst. s( 1) = ( 1 0 0 ) - ( 0 1 0 ) - ( 0 0 1 ) - - cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) - ( 0.0000000 1.0000000 0.0000000 ) - ( 0.0000000 0.0000000 1.0000000 ) - - - Cartesian axes - - site n. atom positions (alat units) - 1 Te tau( 1) = ( -1.2973781 0.0000000 -0.0000000 ) - 2 Ge tau( 2) = ( 0.0055858 0.0000000 0.0000000 ) - - Crystallographic axes - - site n. atom positions (cryst. coord.) - 1 Te tau( 1) = ( 0.5232529 0.5232529 0.5232529 ) - 2 Ge tau( 2) = ( -0.0022529 -0.0022529 -0.0022529 ) - - number of k points= 201 Marzari-Vanderbilt smearing, width (Ry)= 0.0100 - cart. coord. in units 2pi/alat - k( 1) = ( -0.6049734 1.0255575 0.0000000), wk = 0.0049751 - k( 2) = ( -0.6049734 1.0153020 -0.0000000), wk = 0.0049751 - k( 3) = ( -0.6049734 1.0050464 -0.0000000), wk = 0.0049751 - k( 4) = ( -0.6049734 0.9947908 0.0000000), wk = 0.0049751 - k( 5) = ( -0.6049734 0.9845352 0.0000000), wk = 0.0049751 - k( 6) = ( -0.6049734 0.9742797 0.0000000), wk = 0.0049751 - k( 7) = ( -0.6049734 0.9640241 0.0000000), wk = 0.0049751 - k( 8) = ( -0.6049734 0.9537685 -0.0000000), wk = 0.0049751 - k( 9) = ( -0.6049734 0.9435129 -0.0000000), wk = 0.0049751 - k( 10) = ( -0.6049734 0.9332574 0.0000000), wk = 0.0049751 - k( 11) = ( -0.6049734 0.9230018 0.0000000), wk = 0.0049751 - k( 12) = ( -0.6049734 0.9127462 0.0000000), wk = 0.0049751 - k( 13) = ( -0.6049734 0.9024906 0.0000000), wk = 0.0049751 - k( 14) = ( -0.6049734 0.8922351 0.0000000), wk = 0.0049751 - k( 15) = ( -0.6049734 0.8819795 0.0000000), wk = 0.0049751 - k( 16) = ( -0.6049734 0.8717239 -0.0000000), wk = 0.0049751 - k( 17) = ( -0.6049734 0.8614683 -0.0000000), wk = 0.0049751 - k( 18) = ( -0.6049734 0.8512128 -0.0000000), wk = 0.0049751 - k( 19) = ( -0.6049734 0.8409572 0.0000000), wk = 0.0049751 - k( 20) = ( -0.6049734 0.8307016 0.0000000), wk = 0.0049751 - k( 21) = ( -0.6049734 0.8204460 -0.0000000), wk = 0.0049751 - k( 22) = ( -0.6049734 0.8101905 -0.0000000), wk = 0.0049751 - k( 23) = ( -0.6049734 0.7999349 -0.0000000), wk = 0.0049751 - k( 24) = ( -0.6049734 0.7896793 0.0000000), wk = 0.0049751 - k( 25) = ( -0.6049734 0.7794237 0.0000000), wk = 0.0049751 - k( 26) = ( -0.6049734 0.7691682 0.0000000), wk = 0.0049751 - k( 27) = ( -0.6049734 0.7589126 0.0000000), wk = 0.0049751 - k( 28) = ( -0.6049734 0.7486570 -0.0000000), wk = 0.0049751 - k( 29) = ( -0.6049734 0.7384014 -0.0000000), wk = 0.0049751 - k( 30) = ( -0.6049734 0.7281459 0.0000000), wk = 0.0049751 - k( 31) = ( -0.6049734 0.7178903 0.0000000), wk = 0.0049751 - k( 32) = ( -0.6049734 0.7076347 0.0000000), wk = 0.0049751 - k( 33) = ( -0.6049734 0.6973791 0.0000000), wk = 0.0049751 - k( 34) = ( -0.6049734 0.6871236 0.0000000), wk = 0.0049751 - k( 35) = ( -0.6049734 0.6768680 0.0000000), wk = 0.0049751 - k( 36) = ( -0.6049734 0.6666124 0.0000000), wk = 0.0049751 - k( 37) = ( -0.6049734 0.6563568 -0.0000000), wk = 0.0049751 - k( 38) = ( -0.6049734 0.6461013 0.0000000), wk = 0.0049751 - k( 39) = ( -0.6049734 0.6358457 -0.0000000), wk = 0.0049751 - k( 40) = ( -0.6049734 0.6255901 0.0000000), wk = 0.0049751 - k( 41) = ( -0.6049734 0.6153345 -0.0000000), wk = 0.0049751 - k( 42) = ( -0.6049734 0.6050789 0.0000000), wk = 0.0049751 - k( 43) = ( -0.6049734 0.5948234 0.0000000), wk = 0.0049751 - k( 44) = ( -0.6049734 0.5845678 -0.0000000), wk = 0.0049751 - k( 45) = ( -0.6049734 0.5743122 -0.0000000), wk = 0.0049751 - k( 46) = ( -0.6049734 0.5640566 0.0000000), wk = 0.0049751 - k( 47) = ( -0.6049734 0.5538011 -0.0000000), wk = 0.0049751 - k( 48) = ( -0.6049734 0.5435455 -0.0000000), wk = 0.0049751 - k( 49) = ( -0.6049734 0.5332899 0.0000000), wk = 0.0049751 - k( 50) = ( -0.6049734 0.5230343 0.0000000), wk = 0.0049751 - k( 51) = ( -0.6049734 0.5127788 0.0000000), wk = 0.0049751 - k( 52) = ( -0.6049734 0.5025232 0.0000000), wk = 0.0049751 - k( 53) = ( -0.6049734 0.4922676 0.0000000), wk = 0.0049751 - k( 54) = ( -0.6049734 0.4820120 0.0000000), wk = 0.0049751 - k( 55) = ( -0.6049734 0.4717565 0.0000000), wk = 0.0049751 - k( 56) = ( -0.6049734 0.4615009 -0.0000000), wk = 0.0049751 - k( 57) = ( -0.6049734 0.4512453 0.0000000), wk = 0.0049751 - k( 58) = ( -0.6049734 0.4409897 0.0000000), wk = 0.0049751 - k( 59) = ( -0.6049734 0.4307342 0.0000000), wk = 0.0049751 - k( 60) = ( -0.6049734 0.4204786 0.0000000), wk = 0.0049751 - k( 61) = ( -0.6049734 0.4102230 0.0000000), wk = 0.0049751 - k( 62) = ( -0.6049734 0.3999674 -0.0000000), wk = 0.0049751 - k( 63) = ( -0.6049734 0.3897119 0.0000000), wk = 0.0049751 - k( 64) = ( -0.6049734 0.3794563 -0.0000000), wk = 0.0049751 - k( 65) = ( -0.6049734 0.3692007 0.0000000), wk = 0.0049751 - k( 66) = ( -0.6049734 0.3589451 -0.0000000), wk = 0.0049751 - k( 67) = ( -0.6049734 0.3486896 0.0000000), wk = 0.0049751 - k( 68) = ( -0.6049734 0.3384340 -0.0000000), wk = 0.0049751 - k( 69) = ( -0.6049734 0.3281784 0.0000000), wk = 0.0049751 - k( 70) = ( -0.6049734 0.3179228 -0.0000000), wk = 0.0049751 - k( 71) = ( -0.6049734 0.3076673 0.0000000), wk = 0.0049751 - k( 72) = ( -0.6049734 0.2974117 0.0000000), wk = 0.0049751 - k( 73) = ( -0.6049734 0.2871561 0.0000000), wk = 0.0049751 - k( 74) = ( -0.6049734 0.2769005 0.0000000), wk = 0.0049751 - k( 75) = ( -0.6049734 0.2666450 0.0000000), wk = 0.0049751 - k( 76) = ( -0.6049734 0.2563894 0.0000000), wk = 0.0049751 - k( 77) = ( -0.6049734 0.2461338 0.0000000), wk = 0.0049751 - k( 78) = ( -0.6049734 0.2358782 0.0000000), wk = 0.0049751 - k( 79) = ( -0.6049734 0.2256227 -0.0000000), wk = 0.0049751 - k( 80) = ( -0.6049734 0.2153671 0.0000000), wk = 0.0049751 - k( 81) = ( -0.6049734 0.2051115 0.0000000), wk = 0.0049751 - k( 82) = ( -0.6049734 0.1948559 -0.0000000), wk = 0.0049751 - k( 83) = ( -0.6049734 0.1846004 0.0000000), wk = 0.0049751 - k( 84) = ( -0.6049734 0.1743448 0.0000000), wk = 0.0049751 - k( 85) = ( -0.6049734 0.1640892 -0.0000000), wk = 0.0049751 - k( 86) = ( -0.6049734 0.1538336 0.0000000), wk = 0.0049751 - k( 87) = ( -0.6049734 0.1435781 -0.0000000), wk = 0.0049751 - k( 88) = ( -0.6049734 0.1333225 0.0000000), wk = 0.0049751 - k( 89) = ( -0.6049734 0.1230669 0.0000000), wk = 0.0049751 - k( 90) = ( -0.6049734 0.1128113 0.0000000), wk = 0.0049751 - k( 91) = ( -0.6049734 0.1025558 -0.0000000), wk = 0.0049751 - k( 92) = ( -0.6049734 0.0923002 0.0000000), wk = 0.0049751 - k( 93) = ( -0.6049734 0.0820446 -0.0000000), wk = 0.0049751 - k( 94) = ( -0.6049734 0.0717890 0.0000000), wk = 0.0049751 - k( 95) = ( -0.6049734 0.0615335 0.0000000), wk = 0.0049751 - k( 96) = ( -0.6049734 0.0512779 0.0000000), wk = 0.0049751 - k( 97) = ( -0.6049734 0.0410223 0.0000000), wk = 0.0049751 - k( 98) = ( -0.6049734 0.0307667 0.0000000), wk = 0.0049751 - k( 99) = ( -0.6049734 0.0205112 0.0000000), wk = 0.0049751 - k( 100) = ( -0.6049734 0.0102556 0.0000000), wk = 0.0049751 - k( 101) = ( -0.6049734 0.0000000 0.0000000), wk = 0.0049751 - k( 102) = ( -0.6049734 0.0076917 -0.0044408), wk = 0.0049751 - k( 103) = ( -0.6049734 0.0153834 -0.0088816), wk = 0.0049751 - k( 104) = ( -0.6049734 0.0230750 -0.0133224), wk = 0.0049751 - k( 105) = ( -0.6049734 0.0307667 -0.0177632), wk = 0.0049751 - k( 106) = ( -0.6049734 0.0384584 -0.0222040), wk = 0.0049751 - k( 107) = ( -0.6049734 0.0461501 -0.0266448), wk = 0.0049751 - k( 108) = ( -0.6049734 0.0538418 -0.0310856), wk = 0.0049751 - k( 109) = ( -0.6049734 0.0615335 -0.0355264), wk = 0.0049751 - k( 110) = ( -0.6049734 0.0692251 -0.0399671), wk = 0.0049751 - k( 111) = ( -0.6049734 0.0769168 -0.0444079), wk = 0.0049751 - k( 112) = ( -0.6049734 0.0846085 -0.0488487), wk = 0.0049751 - k( 113) = ( -0.6049734 0.0923002 -0.0532895), wk = 0.0049751 - k( 114) = ( -0.6049734 0.0999919 -0.0577303), wk = 0.0049751 - k( 115) = ( -0.6049734 0.1076835 -0.0621711), wk = 0.0049751 - k( 116) = ( -0.6049734 0.1153752 -0.0666119), wk = 0.0049751 - k( 117) = ( -0.6049734 0.1230669 -0.0710527), wk = 0.0049751 - k( 118) = ( -0.6049734 0.1307586 -0.0754935), wk = 0.0049751 - k( 119) = ( -0.6049734 0.1384503 -0.0799343), wk = 0.0049751 - k( 120) = ( -0.6049734 0.1461419 -0.0843751), wk = 0.0049751 - k( 121) = ( -0.6049734 0.1538336 -0.0888159), wk = 0.0049751 - k( 122) = ( -0.6049734 0.1615253 -0.0932567), wk = 0.0049751 - k( 123) = ( -0.6049734 0.1692170 -0.0976975), wk = 0.0049751 - k( 124) = ( -0.6049734 0.1769087 -0.1021383), wk = 0.0049751 - k( 125) = ( -0.6049734 0.1846004 -0.1065791), wk = 0.0049751 - k( 126) = ( -0.6049734 0.1922920 -0.1110199), wk = 0.0049751 - k( 127) = ( -0.6049734 0.1999837 -0.1154607), wk = 0.0049751 - k( 128) = ( -0.6049734 0.2076754 -0.1199014), wk = 0.0049751 - k( 129) = ( -0.6049734 0.2153671 -0.1243422), wk = 0.0049751 - k( 130) = ( -0.6049734 0.2230588 -0.1287830), wk = 0.0049751 - k( 131) = ( -0.6049734 0.2307504 -0.1332238), wk = 0.0049751 - k( 132) = ( -0.6049734 0.2384421 -0.1376646), wk = 0.0049751 - k( 133) = ( -0.6049734 0.2461338 -0.1421054), wk = 0.0049751 - k( 134) = ( -0.6049734 0.2538255 -0.1465462), wk = 0.0049751 - k( 135) = ( -0.6049734 0.2615172 -0.1509870), wk = 0.0049751 - k( 136) = ( -0.6049734 0.2692089 -0.1554278), wk = 0.0049751 - k( 137) = ( -0.6049734 0.2769005 -0.1598686), wk = 0.0049751 - k( 138) = ( -0.6049734 0.2845922 -0.1643094), wk = 0.0049751 - k( 139) = ( -0.6049734 0.2922839 -0.1687502), wk = 0.0049751 - k( 140) = ( -0.6049734 0.2999756 -0.1731910), wk = 0.0049751 - k( 141) = ( -0.6049734 0.3076673 -0.1776318), wk = 0.0049751 - k( 142) = ( -0.6049734 0.3153589 -0.1820726), wk = 0.0049751 - k( 143) = ( -0.6049734 0.3230506 -0.1865134), wk = 0.0049751 - k( 144) = ( -0.6049734 0.3307423 -0.1909542), wk = 0.0049751 - k( 145) = ( -0.6049734 0.3384340 -0.1953950), wk = 0.0049751 - k( 146) = ( -0.6049734 0.3461257 -0.1998357), wk = 0.0049751 - k( 147) = ( -0.6049734 0.3538174 -0.2042765), wk = 0.0049751 - k( 148) = ( -0.6049734 0.3615090 -0.2087173), wk = 0.0049751 - k( 149) = ( -0.6049734 0.3692007 -0.2131581), wk = 0.0049751 - k( 150) = ( -0.6049734 0.3768924 -0.2175989), wk = 0.0049751 - k( 151) = ( -0.6049734 0.3845841 -0.2220397), wk = 0.0049751 - k( 152) = ( -0.6049734 0.3922758 -0.2264805), wk = 0.0049751 - k( 153) = ( -0.6049734 0.3999674 -0.2309213), wk = 0.0049751 - k( 154) = ( -0.6049734 0.4076591 -0.2353621), wk = 0.0049751 - k( 155) = ( -0.6049734 0.4153508 -0.2398029), wk = 0.0049751 - k( 156) = ( -0.6049734 0.4230425 -0.2442437), wk = 0.0049751 - k( 157) = ( -0.6049734 0.4307342 -0.2486845), wk = 0.0049751 - k( 158) = ( -0.6049734 0.4384258 -0.2531253), wk = 0.0049751 - k( 159) = ( -0.6049734 0.4461175 -0.2575661), wk = 0.0049751 - k( 160) = ( -0.6049734 0.4538092 -0.2620069), wk = 0.0049751 - k( 161) = ( -0.6049734 0.4615009 -0.2664477), wk = 0.0049751 - k( 162) = ( -0.6049734 0.4691926 -0.2708885), wk = 0.0049751 - k( 163) = ( -0.6049734 0.4768843 -0.2753293), wk = 0.0049751 - k( 164) = ( -0.6049734 0.4845759 -0.2797700), wk = 0.0049751 - k( 165) = ( -0.6049734 0.4922676 -0.2842108), wk = 0.0049751 - k( 166) = ( -0.6049734 0.4999593 -0.2886516), wk = 0.0049751 - k( 167) = ( -0.6049734 0.5076510 -0.2930924), wk = 0.0049751 - k( 168) = ( -0.6049734 0.5153427 -0.2975332), wk = 0.0049751 - k( 169) = ( -0.6049734 0.5230343 -0.3019740), wk = 0.0049751 - k( 170) = ( -0.6049734 0.5307260 -0.3064148), wk = 0.0049751 - k( 171) = ( -0.6049734 0.5384177 -0.3108556), wk = 0.0049751 - k( 172) = ( -0.6049734 0.5461094 -0.3152964), wk = 0.0049751 - k( 173) = ( -0.6049734 0.5538011 -0.3197372), wk = 0.0049751 - k( 174) = ( -0.6049734 0.5614928 -0.3241780), wk = 0.0049751 - k( 175) = ( -0.6049734 0.5691844 -0.3286188), wk = 0.0049751 - k( 176) = ( -0.6049734 0.5768761 -0.3330596), wk = 0.0049751 - k( 177) = ( -0.6049734 0.5845678 -0.3375004), wk = 0.0049751 - k( 178) = ( -0.6049734 0.5922595 -0.3419412), wk = 0.0049751 - k( 179) = ( -0.6049734 0.5999512 -0.3463820), wk = 0.0049751 - k( 180) = ( -0.6049734 0.6076428 -0.3508228), wk = 0.0049751 - k( 181) = ( -0.6049734 0.6153345 -0.3552636), wk = 0.0049751 - k( 182) = ( -0.6049734 0.6230262 -0.3597043), wk = 0.0049751 - k( 183) = ( -0.6049734 0.6307179 -0.3641451), wk = 0.0049751 - k( 184) = ( -0.6049734 0.6384096 -0.3685859), wk = 0.0049751 - k( 185) = ( -0.6049734 0.6461013 -0.3730267), wk = 0.0049751 - k( 186) = ( -0.6049734 0.6537929 -0.3774675), wk = 0.0049751 - k( 187) = ( -0.6049734 0.6614846 -0.3819083), wk = 0.0049751 - k( 188) = ( -0.6049734 0.6691763 -0.3863491), wk = 0.0049751 - k( 189) = ( -0.6049734 0.6768680 -0.3907899), wk = 0.0049751 - k( 190) = ( -0.6049734 0.6845597 -0.3952307), wk = 0.0049751 - k( 191) = ( -0.6049734 0.6922513 -0.3996715), wk = 0.0049751 - k( 192) = ( -0.6049734 0.6999430 -0.4041123), wk = 0.0049751 - k( 193) = ( -0.6049734 0.7076347 -0.4085531), wk = 0.0049751 - k( 194) = ( -0.6049734 0.7153264 -0.4129939), wk = 0.0049751 - k( 195) = ( -0.6049734 0.7230181 -0.4174347), wk = 0.0049751 - k( 196) = ( -0.6049734 0.7307097 -0.4218755), wk = 0.0049751 - k( 197) = ( -0.6049734 0.7384014 -0.4263163), wk = 0.0049751 - k( 198) = ( -0.6049734 0.7460931 -0.4307571), wk = 0.0049751 - k( 199) = ( -0.6049734 0.7537848 -0.4351979), wk = 0.0049751 - k( 200) = ( -0.6049734 0.7614765 -0.4396386), wk = 0.0049751 - k( 201) = ( -0.6049734 0.7691682 -0.4440794), wk = 0.0049751 - - cryst. coord. - k( 1) = ( 0.5000000 1.0000000 0.0000000), wk = 0.0049751 - k( 2) = ( 0.5000000 0.9950000 0.0050000), wk = 0.0049751 - k( 3) = ( 0.5000000 0.9900000 0.0100000), wk = 0.0049751 - k( 4) = ( 0.5000000 0.9850000 0.0150000), wk = 0.0049751 - k( 5) = ( 0.5000000 0.9800000 0.0200000), wk = 0.0049751 - k( 6) = ( 0.5000000 0.9750000 0.0250000), wk = 0.0049751 - k( 7) = ( 0.5000000 0.9700000 0.0300000), wk = 0.0049751 - k( 8) = ( 0.5000000 0.9650000 0.0350000), wk = 0.0049751 - k( 9) = ( 0.5000000 0.9600000 0.0400000), wk = 0.0049751 - k( 10) = ( 0.5000000 0.9550000 0.0450000), wk = 0.0049751 - k( 11) = ( 0.5000000 0.9500000 0.0500000), wk = 0.0049751 - k( 12) = ( 0.5000000 0.9450000 0.0550000), wk = 0.0049751 - k( 13) = ( 0.5000000 0.9400000 0.0600000), wk = 0.0049751 - k( 14) = ( 0.5000000 0.9350000 0.0650000), wk = 0.0049751 - k( 15) = ( 0.5000000 0.9300000 0.0700000), wk = 0.0049751 - k( 16) = ( 0.5000000 0.9250000 0.0750000), wk = 0.0049751 - k( 17) = ( 0.5000000 0.9200000 0.0800000), wk = 0.0049751 - k( 18) = ( 0.5000000 0.9150000 0.0850000), wk = 0.0049751 - k( 19) = ( 0.5000000 0.9100000 0.0900000), wk = 0.0049751 - k( 20) = ( 0.5000000 0.9050000 0.0950000), wk = 0.0049751 - k( 21) = ( 0.5000000 0.9000000 0.1000000), wk = 0.0049751 - k( 22) = ( 0.5000000 0.8950000 0.1050000), wk = 0.0049751 - k( 23) = ( 0.5000000 0.8900000 0.1100000), wk = 0.0049751 - k( 24) = ( 0.5000000 0.8850000 0.1150000), wk = 0.0049751 - k( 25) = ( 0.5000000 0.8800000 0.1200000), wk = 0.0049751 - k( 26) = ( 0.5000000 0.8750000 0.1250000), wk = 0.0049751 - k( 27) = ( 0.5000000 0.8700000 0.1300000), wk = 0.0049751 - k( 28) = ( 0.5000000 0.8650000 0.1350000), wk = 0.0049751 - k( 29) = ( 0.5000000 0.8600000 0.1400000), wk = 0.0049751 - k( 30) = ( 0.5000000 0.8550000 0.1450000), wk = 0.0049751 - k( 31) = ( 0.5000000 0.8500000 0.1500000), wk = 0.0049751 - k( 32) = ( 0.5000000 0.8450000 0.1550000), wk = 0.0049751 - k( 33) = ( 0.5000000 0.8400000 0.1600000), wk = 0.0049751 - k( 34) = ( 0.5000000 0.8350000 0.1650000), wk = 0.0049751 - k( 35) = ( 0.5000000 0.8300000 0.1700000), wk = 0.0049751 - k( 36) = ( 0.5000000 0.8250000 0.1750000), wk = 0.0049751 - k( 37) = ( 0.5000000 0.8200000 0.1800000), wk = 0.0049751 - k( 38) = ( 0.5000000 0.8150000 0.1850000), wk = 0.0049751 - k( 39) = ( 0.5000000 0.8100000 0.1900000), wk = 0.0049751 - k( 40) = ( 0.5000000 0.8050000 0.1950000), wk = 0.0049751 - k( 41) = ( 0.5000000 0.8000000 0.2000000), wk = 0.0049751 - k( 42) = ( 0.5000000 0.7950000 0.2050000), wk = 0.0049751 - k( 43) = ( 0.5000000 0.7900000 0.2100000), wk = 0.0049751 - k( 44) = ( 0.5000000 0.7850000 0.2150000), wk = 0.0049751 - k( 45) = ( 0.5000000 0.7800000 0.2200000), wk = 0.0049751 - k( 46) = ( 0.5000000 0.7750000 0.2250000), wk = 0.0049751 - k( 47) = ( 0.5000000 0.7700000 0.2300000), wk = 0.0049751 - k( 48) = ( 0.5000000 0.7650000 0.2350000), wk = 0.0049751 - k( 49) = ( 0.5000000 0.7600000 0.2400000), wk = 0.0049751 - k( 50) = ( 0.5000000 0.7550000 0.2450000), wk = 0.0049751 - k( 51) = ( 0.5000000 0.7500000 0.2500000), wk = 0.0049751 - k( 52) = ( 0.5000000 0.7450000 0.2550000), wk = 0.0049751 - k( 53) = ( 0.5000000 0.7400000 0.2600000), wk = 0.0049751 - k( 54) = ( 0.5000000 0.7350000 0.2650000), wk = 0.0049751 - k( 55) = ( 0.5000000 0.7300000 0.2700000), wk = 0.0049751 - k( 56) = ( 0.5000000 0.7250000 0.2750000), wk = 0.0049751 - k( 57) = ( 0.5000000 0.7200000 0.2800000), wk = 0.0049751 - k( 58) = ( 0.5000000 0.7150000 0.2850000), wk = 0.0049751 - k( 59) = ( 0.5000000 0.7100000 0.2900000), wk = 0.0049751 - k( 60) = ( 0.5000000 0.7050000 0.2950000), wk = 0.0049751 - k( 61) = ( 0.5000000 0.7000000 0.3000000), wk = 0.0049751 - k( 62) = ( 0.5000000 0.6950000 0.3050000), wk = 0.0049751 - k( 63) = ( 0.5000000 0.6900000 0.3100000), wk = 0.0049751 - k( 64) = ( 0.5000000 0.6850000 0.3150000), wk = 0.0049751 - k( 65) = ( 0.5000000 0.6800000 0.3200000), wk = 0.0049751 - k( 66) = ( 0.5000000 0.6750000 0.3250000), wk = 0.0049751 - k( 67) = ( 0.5000000 0.6700000 0.3300000), wk = 0.0049751 - k( 68) = ( 0.5000000 0.6650000 0.3350000), wk = 0.0049751 - k( 69) = ( 0.5000000 0.6600000 0.3400000), wk = 0.0049751 - k( 70) = ( 0.5000000 0.6550000 0.3450000), wk = 0.0049751 - k( 71) = ( 0.5000000 0.6500000 0.3500000), wk = 0.0049751 - k( 72) = ( 0.5000000 0.6450000 0.3550000), wk = 0.0049751 - k( 73) = ( 0.5000000 0.6400000 0.3600000), wk = 0.0049751 - k( 74) = ( 0.5000000 0.6350000 0.3650000), wk = 0.0049751 - k( 75) = ( 0.5000000 0.6300000 0.3700000), wk = 0.0049751 - k( 76) = ( 0.5000000 0.6250000 0.3750000), wk = 0.0049751 - k( 77) = ( 0.5000000 0.6200000 0.3800000), wk = 0.0049751 - k( 78) = ( 0.5000000 0.6150000 0.3850000), wk = 0.0049751 - k( 79) = ( 0.5000000 0.6100000 0.3900000), wk = 0.0049751 - k( 80) = ( 0.5000000 0.6050000 0.3950000), wk = 0.0049751 - k( 81) = ( 0.5000000 0.6000000 0.4000000), wk = 0.0049751 - k( 82) = ( 0.5000000 0.5950000 0.4050000), wk = 0.0049751 - k( 83) = ( 0.5000000 0.5900000 0.4100000), wk = 0.0049751 - k( 84) = ( 0.5000000 0.5850000 0.4150000), wk = 0.0049751 - k( 85) = ( 0.5000000 0.5800000 0.4200000), wk = 0.0049751 - k( 86) = ( 0.5000000 0.5750000 0.4250000), wk = 0.0049751 - k( 87) = ( 0.5000000 0.5700000 0.4300000), wk = 0.0049751 - k( 88) = ( 0.5000000 0.5650000 0.4350000), wk = 0.0049751 - k( 89) = ( 0.5000000 0.5600000 0.4400000), wk = 0.0049751 - k( 90) = ( 0.5000000 0.5550000 0.4450000), wk = 0.0049751 - k( 91) = ( 0.5000000 0.5500000 0.4500000), wk = 0.0049751 - k( 92) = ( 0.5000000 0.5450000 0.4550000), wk = 0.0049751 - k( 93) = ( 0.5000000 0.5400000 0.4600000), wk = 0.0049751 - k( 94) = ( 0.5000000 0.5350000 0.4650000), wk = 0.0049751 - k( 95) = ( 0.5000000 0.5300000 0.4700000), wk = 0.0049751 - k( 96) = ( 0.5000000 0.5250000 0.4750000), wk = 0.0049751 - k( 97) = ( 0.5000000 0.5200000 0.4800000), wk = 0.0049751 - k( 98) = ( 0.5000000 0.5150000 0.4850000), wk = 0.0049751 - k( 99) = ( 0.5000000 0.5100000 0.4900000), wk = 0.0049751 - k( 100) = ( 0.5000000 0.5050000 0.4950000), wk = 0.0049751 - k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0049751 - k( 102) = ( 0.4975000 0.5050000 0.4975000), wk = 0.0049751 - k( 103) = ( 0.4950000 0.5100000 0.4950000), wk = 0.0049751 - k( 104) = ( 0.4925000 0.5150000 0.4925000), wk = 0.0049751 - k( 105) = ( 0.4900000 0.5200000 0.4900000), wk = 0.0049751 - k( 106) = ( 0.4875000 0.5250000 0.4875000), wk = 0.0049751 - k( 107) = ( 0.4850000 0.5300000 0.4850000), wk = 0.0049751 - k( 108) = ( 0.4825000 0.5350000 0.4825000), wk = 0.0049751 - k( 109) = ( 0.4800000 0.5400000 0.4800000), wk = 0.0049751 - k( 110) = ( 0.4775000 0.5450000 0.4775000), wk = 0.0049751 - k( 111) = ( 0.4750000 0.5500000 0.4750000), wk = 0.0049751 - k( 112) = ( 0.4725000 0.5550000 0.4725000), wk = 0.0049751 - k( 113) = ( 0.4700000 0.5600000 0.4700000), wk = 0.0049751 - k( 114) = ( 0.4675000 0.5650000 0.4675000), wk = 0.0049751 - k( 115) = ( 0.4650000 0.5700000 0.4650000), wk = 0.0049751 - k( 116) = ( 0.4625000 0.5750000 0.4625000), wk = 0.0049751 - k( 117) = ( 0.4600000 0.5800000 0.4600000), wk = 0.0049751 - k( 118) = ( 0.4575000 0.5850000 0.4575000), wk = 0.0049751 - k( 119) = ( 0.4550000 0.5900000 0.4550000), wk = 0.0049751 - k( 120) = ( 0.4525000 0.5950000 0.4525000), wk = 0.0049751 - k( 121) = ( 0.4500000 0.6000000 0.4500000), wk = 0.0049751 - k( 122) = ( 0.4475000 0.6050000 0.4475000), wk = 0.0049751 - k( 123) = ( 0.4450000 0.6100000 0.4450000), wk = 0.0049751 - k( 124) = ( 0.4425000 0.6150000 0.4425000), wk = 0.0049751 - k( 125) = ( 0.4400000 0.6200000 0.4400000), wk = 0.0049751 - k( 126) = ( 0.4375000 0.6250000 0.4375000), wk = 0.0049751 - k( 127) = ( 0.4350000 0.6300000 0.4350000), wk = 0.0049751 - k( 128) = ( 0.4325000 0.6350000 0.4325000), wk = 0.0049751 - k( 129) = ( 0.4300000 0.6400000 0.4300000), wk = 0.0049751 - k( 130) = ( 0.4275000 0.6450000 0.4275000), wk = 0.0049751 - k( 131) = ( 0.4250000 0.6500000 0.4250000), wk = 0.0049751 - k( 132) = ( 0.4225000 0.6550000 0.4225000), wk = 0.0049751 - k( 133) = ( 0.4200000 0.6600000 0.4200000), wk = 0.0049751 - k( 134) = ( 0.4175000 0.6650000 0.4175000), wk = 0.0049751 - k( 135) = ( 0.4150000 0.6700000 0.4150000), wk = 0.0049751 - k( 136) = ( 0.4125000 0.6750000 0.4125000), wk = 0.0049751 - k( 137) = ( 0.4100000 0.6800000 0.4100000), wk = 0.0049751 - k( 138) = ( 0.4075000 0.6850000 0.4075000), wk = 0.0049751 - k( 139) = ( 0.4050000 0.6900000 0.4050000), wk = 0.0049751 - k( 140) = ( 0.4025000 0.6950000 0.4025000), wk = 0.0049751 - k( 141) = ( 0.4000000 0.7000000 0.4000000), wk = 0.0049751 - k( 142) = ( 0.3975000 0.7050000 0.3975000), wk = 0.0049751 - k( 143) = ( 0.3950000 0.7100000 0.3950000), wk = 0.0049751 - k( 144) = ( 0.3925000 0.7150000 0.3925000), wk = 0.0049751 - k( 145) = ( 0.3900000 0.7200000 0.3900000), wk = 0.0049751 - k( 146) = ( 0.3875000 0.7250000 0.3875000), wk = 0.0049751 - k( 147) = ( 0.3850000 0.7300000 0.3850000), wk = 0.0049751 - k( 148) = ( 0.3825000 0.7350000 0.3825000), wk = 0.0049751 - k( 149) = ( 0.3800000 0.7400000 0.3800000), wk = 0.0049751 - k( 150) = ( 0.3775000 0.7450000 0.3775000), wk = 0.0049751 - k( 151) = ( 0.3750000 0.7500000 0.3750000), wk = 0.0049751 - k( 152) = ( 0.3725000 0.7550000 0.3725000), wk = 0.0049751 - k( 153) = ( 0.3700000 0.7600000 0.3700000), wk = 0.0049751 - k( 154) = ( 0.3675000 0.7650000 0.3675000), wk = 0.0049751 - k( 155) = ( 0.3650000 0.7700000 0.3650000), wk = 0.0049751 - k( 156) = ( 0.3625000 0.7750000 0.3625000), wk = 0.0049751 - k( 157) = ( 0.3600000 0.7800000 0.3600000), wk = 0.0049751 - k( 158) = ( 0.3575000 0.7850000 0.3575000), wk = 0.0049751 - k( 159) = ( 0.3550000 0.7900000 0.3550000), wk = 0.0049751 - k( 160) = ( 0.3525000 0.7950000 0.3525000), wk = 0.0049751 - k( 161) = ( 0.3500000 0.8000000 0.3500000), wk = 0.0049751 - k( 162) = ( 0.3475000 0.8050000 0.3475000), wk = 0.0049751 - k( 163) = ( 0.3450000 0.8100000 0.3450000), wk = 0.0049751 - k( 164) = ( 0.3425000 0.8150000 0.3425000), wk = 0.0049751 - k( 165) = ( 0.3400000 0.8200000 0.3400000), wk = 0.0049751 - k( 166) = ( 0.3375000 0.8250000 0.3375000), wk = 0.0049751 - k( 167) = ( 0.3350000 0.8300000 0.3350000), wk = 0.0049751 - k( 168) = ( 0.3325000 0.8350000 0.3325000), wk = 0.0049751 - k( 169) = ( 0.3300000 0.8400000 0.3300000), wk = 0.0049751 - k( 170) = ( 0.3275000 0.8450000 0.3275000), wk = 0.0049751 - k( 171) = ( 0.3250000 0.8500000 0.3250000), wk = 0.0049751 - k( 172) = ( 0.3225000 0.8550000 0.3225000), wk = 0.0049751 - k( 173) = ( 0.3200000 0.8600000 0.3200000), wk = 0.0049751 - k( 174) = ( 0.3175000 0.8650000 0.3175000), wk = 0.0049751 - k( 175) = ( 0.3150000 0.8700000 0.3150000), wk = 0.0049751 - k( 176) = ( 0.3125000 0.8750000 0.3125000), wk = 0.0049751 - k( 177) = ( 0.3100000 0.8800000 0.3100000), wk = 0.0049751 - k( 178) = ( 0.3075000 0.8850000 0.3075000), wk = 0.0049751 - k( 179) = ( 0.3050000 0.8900000 0.3050000), wk = 0.0049751 - k( 180) = ( 0.3025000 0.8950000 0.3025000), wk = 0.0049751 - k( 181) = ( 0.3000000 0.9000000 0.3000000), wk = 0.0049751 - k( 182) = ( 0.2975000 0.9050000 0.2975000), wk = 0.0049751 - k( 183) = ( 0.2950000 0.9100000 0.2950000), wk = 0.0049751 - k( 184) = ( 0.2925000 0.9150000 0.2925000), wk = 0.0049751 - k( 185) = ( 0.2900000 0.9200000 0.2900000), wk = 0.0049751 - k( 186) = ( 0.2875000 0.9250000 0.2875000), wk = 0.0049751 - k( 187) = ( 0.2850000 0.9300000 0.2850000), wk = 0.0049751 - k( 188) = ( 0.2825000 0.9350000 0.2825000), wk = 0.0049751 - k( 189) = ( 0.2800000 0.9400000 0.2800000), wk = 0.0049751 - k( 190) = ( 0.2775000 0.9450000 0.2775000), wk = 0.0049751 - k( 191) = ( 0.2750000 0.9500000 0.2750000), wk = 0.0049751 - k( 192) = ( 0.2725000 0.9550000 0.2725000), wk = 0.0049751 - k( 193) = ( 0.2700000 0.9600000 0.2700000), wk = 0.0049751 - k( 194) = ( 0.2675000 0.9650000 0.2675000), wk = 0.0049751 - k( 195) = ( 0.2650000 0.9700000 0.2650000), wk = 0.0049751 - k( 196) = ( 0.2625000 0.9750000 0.2625000), wk = 0.0049751 - k( 197) = ( 0.2600000 0.9800000 0.2600000), wk = 0.0049751 - k( 198) = ( 0.2575000 0.9850000 0.2575000), wk = 0.0049751 - k( 199) = ( 0.2550000 0.9900000 0.2550000), wk = 0.0049751 - k( 200) = ( 0.2525000 0.9950000 0.2525000), wk = 0.0049751 - k( 201) = ( 0.2500000 1.0000000 0.2500000), wk = 0.0049751 - - Dense grid: 24123 G-vectors FFT dimensions: ( 45, 45, 45) - - Smooth grid: 7181 G-vectors FFT dimensions: ( 27, 27, 27) - - Estimated max dynamical RAM per process > 12.55Mb - - Estimated total allocated dynamical RAM > 301.26Mb - - Check: negative/imaginary core charge= -0.000026 0.000000 - - The potential is recalculated from file : - ./pwo.save/charge-density.dat - - Starting wfc are 36 randomized atomic wfcs + 12 random wfc - Checking if some PAW data can be deallocated... - node 0, deallocated PAW data for type: 1 - node 1, deallocated PAW data for type: 1 - node 2, deallocated PAW data for type: 1 - node 3, deallocated PAW data for type: 1 - node 4, deallocated PAW data for type: 1 - node 5, deallocated PAW data for type: 1 - node 6, deallocated PAW data for type: 1 - node 7, deallocated PAW data for type: 1 - node 8, deallocated PAW data for type: 1 - node 9, deallocated PAW data for type: 1 - node 10, deallocated PAW data for type: 1 - node 11, deallocated PAW data for type: 1 - node 12, deallocated PAW data for type: 2 - node 13, deallocated PAW data for type: 2 - node 14, deallocated PAW data for type: 2 - node 15, deallocated PAW data for type: 2 - node 16, deallocated PAW data for type: 2 - node 17, deallocated PAW data for type: 2 - node 18, deallocated PAW data for type: 2 - node 19, deallocated PAW data for type: 2 - node 20, deallocated PAW data for type: 2 - node 21, deallocated PAW data for type: 2 - node 22, deallocated PAW data for type: 2 - node 23, deallocated PAW data for type: 2 - - Band Structure Calculation - Davidson diagonalization with overlap - - Computing kpt #: 1 - total cpu time spent up to now is 2.4 secs - - Computing kpt #: 2 - total cpu time spent up to now is 2.6 secs - - Computing kpt #: 3 - total cpu time spent up to now is 2.8 secs - - Computing kpt #: 4 - total cpu time spent up to now is 3.0 secs - - Computing kpt #: 5 - total cpu time spent up to now is 3.2 secs - - Computing kpt #: 6 - total cpu time spent up to now is 3.4 secs - - Computing kpt #: 7 - total cpu time spent up to now is 3.6 secs - - Computing kpt #: 8 - total cpu time spent up to now is 3.8 secs - - Computing kpt #: 9 - total cpu time spent up to now is 4.0 secs - - Computing kpt #: 10 - total cpu time spent up to now is 4.2 secs - - Computing kpt #: 11 - total cpu time spent up to now is 4.5 secs - - Computing kpt #: 12 - total cpu time spent up to now is 4.7 secs - - Computing kpt #: 13 - total cpu time spent up to now is 4.9 secs - - Computing kpt #: 14 - total cpu time spent up to now is 5.1 secs - - Computing kpt #: 15 - total cpu time spent up to now is 5.3 secs - - Computing kpt #: 16 - total cpu time spent up to now is 5.5 secs - - Computing kpt #: 17 - total cpu time spent up to now is 5.8 secs - - Computing kpt #: 18 - total cpu time spent up to now is 6.0 secs - - Computing kpt #: 19 - total cpu time spent up to now is 6.2 secs - - Computing kpt #: 20 - total cpu time spent up to now is 6.5 secs - - Computing kpt #: 21 - total cpu time spent up to now is 6.7 secs - - Computing kpt #: 22 - total cpu time spent up to now is 6.9 secs - - Computing kpt #: 23 - total cpu time spent up to now is 7.2 secs - - Computing kpt #: 24 - total cpu time spent up to now is 7.4 secs - - Computing kpt #: 25 - total cpu time spent up to now is 7.6 secs - - Computing kpt #: 26 - total cpu time spent up to now is 7.9 secs - - Computing kpt #: 27 - total cpu time spent up to now is 8.1 secs - - Computing kpt #: 28 - total cpu time spent up to now is 8.4 secs - - Computing kpt #: 29 - total cpu time spent up to now is 8.6 secs - - Computing kpt #: 30 - total cpu time spent up to now is 8.8 secs - - Computing kpt #: 31 - total cpu time spent up to now is 9.1 secs - - Computing kpt #: 32 - total cpu time spent up to now is 9.3 secs - - Computing kpt #: 33 - total cpu time spent up to now is 9.5 secs - - Computing kpt #: 34 - total cpu time spent up to now is 9.8 secs - - Computing kpt #: 35 - total cpu time spent up to now is 10.0 secs - - Computing kpt #: 36 - total cpu time spent up to now is 10.2 secs - - Computing kpt #: 37 - total cpu time spent up to now is 10.5 secs - - Computing kpt #: 38 - total cpu time spent up to now is 10.7 secs - - Computing kpt #: 39 - total cpu time spent up to now is 10.9 secs - - Computing kpt #: 40 - total cpu time spent up to now is 11.1 secs - - Computing kpt #: 41 - total cpu time spent up to now is 11.4 secs - - Computing kpt #: 42 - total cpu time spent up to now is 11.6 secs - - Computing kpt #: 43 - total cpu time spent up to now is 11.9 secs - - Computing kpt #: 44 - total cpu time spent up to now is 12.1 secs - - Computing kpt #: 45 - total cpu time spent up to now is 12.3 secs - - Computing kpt #: 46 - total cpu time spent up to now is 12.6 secs - - Computing kpt #: 47 - total cpu time spent up to now is 12.8 secs - - Computing kpt #: 48 - total cpu time spent up to now is 13.1 secs - - Computing kpt #: 49 - total cpu time spent up to now is 13.4 secs - - Computing kpt #: 50 - total cpu time spent up to now is 13.6 secs - - Computing kpt #: 51 - total cpu time spent up to now is 13.9 secs - - Computing kpt #: 52 - total cpu time spent up to now is 14.1 secs - - Computing kpt #: 53 - total cpu time spent up to now is 14.4 secs - - Computing kpt #: 54 - total cpu time spent up to now is 14.6 secs - - Computing kpt #: 55 - total cpu time spent up to now is 14.9 secs - - Computing kpt #: 56 - total cpu time spent up to now is 15.1 secs - - Computing kpt #: 57 - total cpu time spent up to now is 15.4 secs - - Computing kpt #: 58 - total cpu time spent up to now is 15.6 secs - - Computing kpt #: 59 - total cpu time spent up to now is 15.8 secs - - Computing kpt #: 60 - total cpu time spent up to now is 16.1 secs - - Computing kpt #: 61 - total cpu time spent up to now is 16.3 secs - - Computing kpt #: 62 - total cpu time spent up to now is 16.6 secs - - Computing kpt #: 63 - total cpu time spent up to now is 16.8 secs - - Computing kpt #: 64 - total cpu time spent up to now is 17.0 secs - - Computing kpt #: 65 - total cpu time spent up to now is 17.3 secs - - Computing kpt #: 66 - total cpu time spent up to now is 17.5 secs - - Computing kpt #: 67 - total cpu time spent up to now is 17.7 secs - - Computing kpt #: 68 - total cpu time spent up to now is 17.9 secs - - Computing kpt #: 69 - total cpu time spent up to now is 18.2 secs - - Computing kpt #: 70 - total cpu time spent up to now is 18.4 secs - - Computing kpt #: 71 - total cpu time spent up to now is 18.6 secs - - Computing kpt #: 72 - total cpu time spent up to now is 18.9 secs - - Computing kpt #: 73 - total cpu time spent up to now is 19.1 secs - - Computing kpt #: 74 - total cpu time spent up to now is 19.4 secs - - Computing kpt #: 75 - total cpu time spent up to now is 19.6 secs - - Computing kpt #: 76 - total cpu time spent up to now is 19.8 secs - - Computing kpt #: 77 - total cpu time spent up to now is 20.1 secs - - Computing kpt #: 78 - total cpu time spent up to now is 20.3 secs - - Computing kpt #: 79 - total cpu time spent up to now is 20.6 secs - - Computing kpt #: 80 - total cpu time spent up to now is 20.8 secs - - Computing kpt #: 81 - total cpu time spent up to now is 21.0 secs - - Computing kpt #: 82 - total cpu time spent up to now is 21.3 secs - - Computing kpt #: 83 - total cpu time spent up to now is 21.5 secs - - Computing kpt #: 84 - total cpu time spent up to now is 21.7 secs - - Computing kpt #: 85 - total cpu time spent up to now is 21.9 secs - - Computing kpt #: 86 - total cpu time spent up to now is 22.2 secs - - Computing kpt #: 87 - total cpu time spent up to now is 22.4 secs - - Computing kpt #: 88 - total cpu time spent up to now is 22.6 secs - - Computing kpt #: 89 - total cpu time spent up to now is 22.8 secs - - Computing kpt #: 90 - total cpu time spent up to now is 23.0 secs - - Computing kpt #: 91 - total cpu time spent up to now is 23.2 secs - - Computing kpt #: 92 - total cpu time spent up to now is 23.4 secs - - Computing kpt #: 93 - total cpu time spent up to now is 23.6 secs - - Computing kpt #: 94 - total cpu time spent up to now is 23.8 secs - - Computing kpt #: 95 - total cpu time spent up to now is 24.0 secs - - Computing kpt #: 96 - total cpu time spent up to now is 24.2 secs - - Computing kpt #: 97 - total cpu time spent up to now is 24.4 secs - - Computing kpt #: 98 - total cpu time spent up to now is 24.6 secs - - Computing kpt #: 99 - total cpu time spent up to now is 24.8 secs - - Computing kpt #: 100 - total cpu time spent up to now is 25.0 secs - - Computing kpt #: 101 - total cpu time spent up to now is 25.2 secs - - Computing kpt #: 102 - total cpu time spent up to now is 25.4 secs - - Computing kpt #: 103 - total cpu time spent up to now is 25.6 secs - - Computing kpt #: 104 - total cpu time spent up to now is 25.8 secs - - Computing kpt #: 105 - total cpu time spent up to now is 26.0 secs - - Computing kpt #: 106 - total cpu time spent up to now is 26.2 secs - - Computing kpt #: 107 - total cpu time spent up to now is 26.4 secs - - Computing kpt #: 108 - total cpu time spent up to now is 26.6 secs - - Computing kpt #: 109 - total cpu time spent up to now is 26.8 secs - - Computing kpt #: 110 - total cpu time spent up to now is 27.0 secs - - Computing kpt #: 111 - total cpu time spent up to now is 27.2 secs - - Computing kpt #: 112 - total cpu time spent up to now is 27.4 secs - - Computing kpt #: 113 - total cpu time spent up to now is 27.6 secs - - Computing kpt #: 114 - total cpu time spent up to now is 27.9 secs - - Computing kpt #: 115 - total cpu time spent up to now is 28.1 secs - - Computing kpt #: 116 - total cpu time spent up to now is 28.3 secs - - Computing kpt #: 117 - total cpu time spent up to now is 28.5 secs - - Computing kpt #: 118 - total cpu time spent up to now is 28.7 secs - - Computing kpt #: 119 - total cpu time spent up to now is 28.9 secs - - Computing kpt #: 120 - total cpu time spent up to now is 29.2 secs - - Computing kpt #: 121 - total cpu time spent up to now is 29.4 secs - - Computing kpt #: 122 - total cpu time spent up to now is 29.6 secs - - Computing kpt #: 123 - total cpu time spent up to now is 29.9 secs - - Computing kpt #: 124 - total cpu time spent up to now is 30.1 secs - - Computing kpt #: 125 - total cpu time spent up to now is 30.3 secs - - Computing kpt #: 126 - total cpu time spent up to now is 30.6 secs - - Computing kpt #: 127 - total cpu time spent up to now is 30.8 secs - - Computing kpt #: 128 - total cpu time spent up to now is 31.1 secs - - Computing kpt #: 129 - total cpu time spent up to now is 31.3 secs - - Computing kpt #: 130 - total cpu time spent up to now is 31.6 secs - - Computing kpt #: 131 - total cpu time spent up to now is 31.8 secs - - Computing kpt #: 132 - total cpu time spent up to now is 32.1 secs - - Computing kpt #: 133 - total cpu time spent up to now is 32.4 secs - - Computing kpt #: 134 - total cpu time spent up to now is 32.6 secs - - Computing kpt #: 135 - total cpu time spent up to now is 32.9 secs - - Computing kpt #: 136 - total cpu time spent up to now is 33.2 secs - - Computing kpt #: 137 - total cpu time spent up to now is 33.4 secs - - Computing kpt #: 138 - total cpu time spent up to now is 33.7 secs - - Computing kpt #: 139 - total cpu time spent up to now is 33.9 secs - - Computing kpt #: 140 - total cpu time spent up to now is 34.2 secs - - Computing kpt #: 141 - total cpu time spent up to now is 34.5 secs - - Computing kpt #: 142 - total cpu time spent up to now is 34.7 secs - - Computing kpt #: 143 - total cpu time spent up to now is 35.0 secs - - Computing kpt #: 144 - total cpu time spent up to now is 35.3 secs - - Computing kpt #: 145 - total cpu time spent up to now is 35.5 secs - - Computing kpt #: 146 - total cpu time spent up to now is 35.8 secs - - Computing kpt #: 147 - total cpu time spent up to now is 36.1 secs - - Computing kpt #: 148 - total cpu time spent up to now is 36.4 secs - - Computing kpt #: 149 - total cpu time spent up to now is 36.6 secs - - Computing kpt #: 150 - total cpu time spent up to now is 36.9 secs - - Computing kpt #: 151 - total cpu time spent up to now is 37.1 secs - - Computing kpt #: 152 - total cpu time spent up to now is 37.4 secs - - Computing kpt #: 153 - total cpu time spent up to now is 37.7 secs - - Computing kpt #: 154 - total cpu time spent up to now is 37.9 secs - - Computing kpt #: 155 - total cpu time spent up to now is 38.2 secs - - Computing kpt #: 156 - total cpu time spent up to now is 38.4 secs - - Computing kpt #: 157 - total cpu time spent up to now is 38.7 secs - - Computing kpt #: 158 - total cpu time spent up to now is 38.9 secs - - Computing kpt #: 159 - total cpu time spent up to now is 39.2 secs - - Computing kpt #: 160 - total cpu time spent up to now is 39.5 secs - - Computing kpt #: 161 - total cpu time spent up to now is 39.7 secs - - Computing kpt #: 162 - total cpu time spent up to now is 40.0 secs - - Computing kpt #: 163 - total cpu time spent up to now is 40.2 secs - - Computing kpt #: 164 - total cpu time spent up to now is 40.5 secs - - Computing kpt #: 165 - total cpu time spent up to now is 40.8 secs - - Computing kpt #: 166 - total cpu time spent up to now is 41.1 secs - - Computing kpt #: 167 - total cpu time spent up to now is 41.3 secs - - Computing kpt #: 168 - total cpu time spent up to now is 41.6 secs - - Computing kpt #: 169 - total cpu time spent up to now is 41.8 secs - - Computing kpt #: 170 - total cpu time spent up to now is 42.1 secs - - Computing kpt #: 171 - total cpu time spent up to now is 42.3 secs - - Computing kpt #: 172 - total cpu time spent up to now is 42.6 secs - - Computing kpt #: 173 - total cpu time spent up to now is 42.8 secs - - Computing kpt #: 174 - total cpu time spent up to now is 43.1 secs - - Computing kpt #: 175 - total cpu time spent up to now is 43.3 secs - - Computing kpt #: 176 - total cpu time spent up to now is 43.6 secs - - Computing kpt #: 177 - total cpu time spent up to now is 43.9 secs - - Computing kpt #: 178 - total cpu time spent up to now is 44.1 secs - - Computing kpt #: 179 - total cpu time spent up to now is 44.4 secs - - Computing kpt #: 180 - total cpu time spent up to now is 44.6 secs - - Computing kpt #: 181 - total cpu time spent up to now is 44.9 secs - - Computing kpt #: 182 - total cpu time spent up to now is 45.2 secs - - Computing kpt #: 183 - total cpu time spent up to now is 45.4 secs - - Computing kpt #: 184 - total cpu time spent up to now is 45.7 secs - - Computing kpt #: 185 - total cpu time spent up to now is 46.0 secs - - Computing kpt #: 186 - total cpu time spent up to now is 46.3 secs - - Computing kpt #: 187 - total cpu time spent up to now is 46.5 secs - - Computing kpt #: 188 - total cpu time spent up to now is 46.8 secs - - Computing kpt #: 189 - total cpu time spent up to now is 47.1 secs - - Computing kpt #: 190 - total cpu time spent up to now is 47.3 secs - - Computing kpt #: 191 - total cpu time spent up to now is 47.6 secs - - Computing kpt #: 192 - total cpu time spent up to now is 47.8 secs - - Computing kpt #: 193 - total cpu time spent up to now is 48.0 secs - - Computing kpt #: 194 - total cpu time spent up to now is 48.3 secs - - Computing kpt #: 195 - total cpu time spent up to now is 48.5 secs - - Computing kpt #: 196 - total cpu time spent up to now is 48.8 secs - - Computing kpt #: 197 - total cpu time spent up to now is 49.0 secs - - Computing kpt #: 198 - total cpu time spent up to now is 49.2 secs - - Computing kpt #: 199 - total cpu time spent up to now is 49.5 secs - - Computing kpt #: 200 - total cpu time spent up to now is 49.7 secs - - Computing kpt #: 201 - total cpu time spent up to now is 49.9 secs - - ethr = 3.33E-11, avg # of iterations = 16.6 - - total cpu time spent up to now is 49.9 secs - - End of band structure calculation - - k =-0.6050 1.0256 0.0000 ( 890 PWs) bands (ev): - - -28.4967 -28.4967 -28.4906 -28.4906 -27.0303 -27.0303 -27.0247 -27.0247 - -27.0211 -27.0211 -16.0864 -16.0864 -16.0797 -16.0797 -15.5033 -15.5033 - -15.4935 -15.4935 -15.4915 -15.4915 -2.2303 -2.2303 0.1392 0.1392 - 7.2204 7.2204 7.7614 7.7614 9.0950 9.0950 9.6475 9.6475 - 9.8372 9.8372 10.0497 10.0497 18.0672 18.0672 18.7114 18.7114 - 19.4760 19.4760 19.5828 19.5828 19.7671 19.7671 20.2494 20.2494 - - k =-0.6050 1.0153-0.0000 ( 890 PWs) bands (ev): - - -28.4967 -28.4967 -28.4906 -28.4906 -27.0302 -27.0302 -27.0247 -27.0247 - -27.0211 -27.0211 -16.0864 -16.0863 -16.0798 -16.0797 -15.5033 -15.5033 - -15.4935 -15.4934 -15.4915 -15.4915 -2.2299 -2.2298 0.1393 0.1403 - 7.1936 7.2365 7.7317 7.7795 9.0521 9.1186 9.6262 9.6692 - 9.8285 9.8351 10.0704 10.0880 18.0586 18.0672 18.7072 18.7075 - 19.4259 19.4619 19.5497 19.5683 19.7892 19.8310 20.2701 20.2811 - - k =-0.6050 1.0050-0.0000 ( 896 PWs) bands (ev): - - -28.4985 -28.4985 -28.4916 -28.4916 -27.0319 -27.0319 -27.0264 -27.0264 - -27.0219 -27.0219 -16.0902 -16.0901 -16.0825 -16.0824 -15.5066 -15.5065 - -15.4970 -15.4969 -15.4946 -15.4946 -2.2286 -2.2285 0.1406 0.1425 - 7.1561 7.2414 7.6914 7.7866 8.9954 9.1133 9.6197 9.6914 - 9.8164 9.8310 10.1370 10.1703 18.0413 18.0586 18.6942 18.6953 - 19.3479 19.3963 19.4989 19.5130 19.8767 19.9338 20.3366 20.3557 - - k =-0.6050 0.9948 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4990 -28.4921 -28.4921 -27.0324 -27.0324 -27.0270 -27.0270 - -27.0223 -27.0223 -16.0912 -16.0911 -16.0837 -16.0836 -15.5075 -15.5074 - -15.4985 -15.4984 -15.4956 -15.4955 -2.2264 -2.2262 0.1430 0.1459 - 7.1079 7.2342 7.6431 7.7847 8.9266 9.0727 9.6425 9.7235 - 9.8091 9.8333 10.2297 10.2770 18.0150 18.0407 18.6709 18.6737 - 19.2659 19.3167 19.4379 19.4466 19.9878 20.0518 20.4337 20.4583 - - k =-0.6050 0.9845 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4990 -28.4921 -28.4921 -27.0324 -27.0323 -27.0270 -27.0270 - -27.0223 -27.0223 -16.0912 -16.0910 -16.0837 -16.0836 -15.5075 -15.5073 - -15.4986 -15.4984 -15.4956 -15.4955 -2.2234 -2.2231 0.1466 0.1505 - 7.0494 7.2131 7.5908 7.7759 8.8478 9.0032 9.6899 9.7719 - 9.8079 9.8472 10.3377 10.3976 17.9791 18.0130 18.6351 18.6409 - 19.1891 19.2388 19.3768 19.3826 20.1093 20.1781 20.5493 20.5777 - - k =-0.6050 0.9743 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4990 -28.4921 -28.4920 -27.0323 -27.0323 -27.0270 -27.0270 - -27.0223 -27.0223 -16.0912 -16.0910 -16.0838 -16.0836 -15.5075 -15.5073 - -15.4986 -15.4984 -15.4956 -15.4954 -2.2195 -2.2191 0.1514 0.1562 - 6.9812 7.1763 7.5386 7.7625 8.7614 8.9169 9.7398 9.8038 - 9.8486 9.8830 10.4555 10.5265 17.9333 17.9746 18.5848 18.5948 - 19.1223 19.1688 19.3235 19.3279 20.2370 20.3098 20.6763 20.7076 - - k =-0.6050 0.9640 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4989 -28.4920 -28.4920 -27.0323 -27.0323 -27.0270 -27.0270 - -27.0223 -27.0223 -16.0912 -16.0909 -16.0837 -16.0835 -15.5074 -15.5072 - -15.4986 -15.4983 -15.4956 -15.4954 -2.2147 -2.2142 0.1573 0.1631 - 6.9043 7.1225 7.4894 7.7455 8.6706 8.8235 9.7720 9.8080 - 9.9417 9.9507 10.5800 10.6608 17.8775 17.9253 18.5190 18.5339 - 19.0684 19.1105 19.2816 19.2855 20.3690 20.4455 20.8106 20.8443 - - k =-0.6050 0.9538-0.0000 ( 900 PWs) bands (ev): - - -28.4995 -28.4994 -28.4924 -28.4924 -27.0329 -27.0329 -27.0272 -27.0272 - -27.0228 -27.0228 -16.0919 -16.0915 -16.0852 -16.0850 -15.5081 -15.5078 - -15.4993 -15.4990 -15.4973 -15.4972 -2.2091 -2.2085 0.1643 0.1711 - 6.8200 7.0530 7.4437 7.7253 8.5782 8.7292 9.7903 9.8129 - 10.0409 10.0559 10.7092 10.7988 17.8122 17.8653 18.4388 18.4582 - 19.0287 19.0664 19.2519 19.2560 20.5041 20.5841 20.9496 20.9856 - - k =-0.6050 0.9435-0.0000 ( 898 PWs) bands (ev): - - -28.4988 -28.4988 -28.4920 -28.4920 -27.0324 -27.0324 -27.0265 -27.0264 - -27.0225 -27.0224 -16.0905 -16.0901 -16.0843 -16.0841 -15.5071 -15.5067 - -15.4977 -15.4973 -15.4964 -15.4964 -2.2026 -2.2020 0.1725 0.1802 - 6.7296 6.9707 7.3995 7.7012 8.4870 8.6380 9.8032 9.8189 - 10.1488 10.1805 10.8420 10.9395 17.7384 17.7953 18.3466 18.3694 - 19.0030 19.0367 19.2335 19.2380 20.6416 20.7250 21.0920 21.1300 - - k =-0.6050 0.9333 0.0000 ( 900 PWs) bands (ev): - - -28.4992 -28.4991 -28.4925 -28.4925 -27.0327 -27.0326 -27.0271 -27.0271 - -27.0228 -27.0228 -16.0914 -16.0909 -16.0854 -16.0851 -15.5080 -15.5075 - -15.4995 -15.4989 -15.4969 -15.4968 -2.1953 -2.1946 0.1817 0.1905 - 6.6344 6.8789 7.3541 7.6719 8.3998 8.5529 9.8144 9.8261 - 10.2676 10.3140 10.9775 11.0822 17.6571 17.7166 18.2455 18.2705 - 18.9901 19.0203 19.2249 19.2296 20.7809 20.8676 21.2364 21.2764 - - k =-0.6050 0.9230 0.0000 ( 900 PWs) bands (ev): - - -28.4989 -28.4988 -28.4928 -28.4927 -27.0329 -27.0328 -27.0268 -27.0268 - -27.0229 -27.0229 -16.0918 -16.0913 -16.0850 -16.0847 -15.5098 -15.5092 - -15.4991 -15.4986 -15.4952 -15.4950 -2.1873 -2.1865 0.1921 0.2019 - 6.5356 6.7808 7.3049 7.6351 8.3195 8.4758 9.8252 9.8343 - 10.3948 10.4540 11.1149 11.2263 17.5699 17.6307 18.1383 18.1644 - 18.9884 19.0156 19.2243 19.2291 20.9215 21.0114 21.3820 21.4241 - - k =-0.6050 0.9127 0.0000 ( 898 PWs) bands (ev): - - -28.4981 -28.4980 -28.4926 -28.4925 -27.0318 -27.0317 -27.0265 -27.0265 - -27.0228 -27.0228 -16.0898 -16.0893 -16.0847 -16.0844 -15.5073 -15.5066 - -15.4989 -15.4984 -15.4947 -15.4945 -2.1785 -2.1776 0.2035 0.2144 - 6.4341 6.6785 7.2500 7.5886 8.2492 8.4080 9.8363 9.8435 - 10.5288 10.5992 11.2538 11.3714 17.4781 17.5392 18.0271 18.0535 - 18.9964 19.0210 19.2305 19.2354 21.0629 21.1561 21.5277 21.5719 - - k =-0.6050 0.9025 0.0000 ( 898 PWs) bands (ev): - - -28.4981 -28.4980 -28.4926 -28.4925 -27.0318 -27.0317 -27.0265 -27.0265 - -27.0228 -27.0227 -16.0898 -16.0893 -16.0847 -16.0845 -15.5073 -15.5065 - -15.4990 -15.4984 -15.4947 -15.4945 -2.1689 -2.1679 0.2160 0.2279 - 6.3309 6.5736 7.1884 7.5307 8.1910 8.3503 9.8478 9.8537 - 10.6680 10.7485 11.3937 11.5171 17.3827 17.4435 17.9135 17.9397 - 19.0128 19.0349 19.2422 19.2473 21.2045 21.3010 21.6728 21.7192 - - k =-0.6050 0.8922 0.0000 ( 898 PWs) bands (ev): - - -28.4981 -28.4980 -28.4925 -28.4925 -27.0318 -27.0317 -27.0265 -27.0265 - -27.0227 -27.0227 -16.0897 -16.0892 -16.0847 -16.0844 -15.5072 -15.5064 - -15.4990 -15.4984 -15.4947 -15.4945 -2.1586 -2.1576 0.2295 0.2425 - 6.2266 6.4674 7.1198 7.4608 8.1459 8.3025 9.8599 9.8647 - 10.8117 10.9012 11.5344 11.6634 17.2850 17.3448 17.7986 17.8242 - 19.0365 19.0565 19.2586 19.2641 21.3459 21.4457 21.8160 21.8648 - - k =-0.6050 0.8820 0.0000 ( 896 PWs) bands (ev): - - -28.4975 -28.4974 -28.4921 -28.4921 -27.0313 -27.0312 -27.0259 -27.0259 - -27.0223 -27.0222 -16.0890 -16.0885 -16.0832 -16.0828 -15.5068 -15.5060 - -15.4977 -15.4972 -15.4929 -15.4925 -2.1476 -2.1465 0.2440 0.2581 - 6.1220 6.3606 7.0443 7.3799 8.1132 8.2642 9.8727 9.8766 - 10.9590 11.0567 11.6755 11.8098 17.1859 17.2441 17.6833 17.7080 - 19.0667 19.0846 19.2792 19.2853 21.4864 21.5897 21.9562 22.0074 - - k =-0.6050 0.8717-0.0000 ( 896 PWs) bands (ev): - - -28.4974 -28.4973 -28.4921 -28.4921 -27.0312 -27.0311 -27.0259 -27.0259 - -27.0222 -27.0222 -16.0889 -16.0884 -16.0832 -16.0828 -15.5067 -15.5058 - -15.4977 -15.4971 -15.4929 -15.4925 -2.1360 -2.1348 0.2595 0.2746 - 6.0174 6.2541 6.9626 7.2899 8.0913 8.2347 9.8861 9.8892 - 11.1093 11.2145 11.8168 11.9562 17.0860 17.1424 17.5682 17.5918 - 19.1026 19.1188 19.3037 19.3106 21.6253 21.7321 22.0915 22.1454 - - k =-0.6050 0.8615-0.0000 ( 900 PWs) bands (ev): - - -28.4986 -28.4984 -28.4927 -28.4927 -27.0320 -27.0319 -27.0273 -27.0273 - -27.0227 -27.0226 -16.0914 -16.0908 -16.0848 -16.0845 -15.5087 -15.5077 - -15.4999 -15.4990 -15.4952 -15.4948 -2.1238 -2.1225 0.2759 0.2922 - 5.9134 6.1483 6.8755 7.1932 8.0780 8.2129 9.9001 9.9027 - 11.2619 11.3742 11.9580 12.1023 16.9859 17.0401 17.4538 17.4761 - 19.1437 19.1583 19.3319 19.3398 21.7619 21.8723 22.2196 22.2763 - - k =-0.6050 0.8512-0.0000 ( 896 PWs) bands (ev): - - -28.4970 -28.4969 -28.4924 -28.4923 -27.0301 -27.0300 -27.0267 -27.0266 - -27.0223 -27.0223 -16.0878 -16.0874 -16.0839 -16.0835 -15.5049 -15.5039 - -15.4984 -15.4976 -15.4938 -15.4935 -2.1110 -2.1096 0.2933 0.3107 - 5.8104 6.0436 6.7842 7.0917 8.0715 8.1978 9.9148 9.9168 - 11.4165 11.5355 12.0990 12.2480 16.8863 16.9381 17.3403 17.3613 - 19.1895 19.2026 19.3638 19.3729 21.8950 22.0092 22.3377 22.3971 - - k =-0.6050 0.8410 0.0000 ( 898 PWs) bands (ev): - - -28.4977 -28.4976 -28.4925 -28.4925 -27.0307 -27.0306 -27.0272 -27.0272 - -27.0225 -27.0225 -16.0892 -16.0886 -16.0847 -16.0843 -15.5058 -15.5048 - -15.4995 -15.4986 -15.4952 -15.4948 -2.0977 -2.0962 0.3115 0.3301 - 5.7085 5.9404 6.6894 6.9871 8.0703 8.1884 9.9301 9.9317 - 11.5727 11.6979 12.2394 12.3931 16.7875 16.8366 17.2282 17.2476 - 19.2394 19.2513 19.3994 19.4100 22.0232 22.1413 22.4419 22.5035 - - k =-0.6050 0.8307 0.0000 ( 900 PWs) bands (ev): - - -28.4980 -28.4978 -28.4932 -28.4932 -27.0309 -27.0307 -27.0277 -27.0276 - -27.0233 -27.0232 -16.0906 -16.0902 -16.0854 -16.0849 -15.5072 -15.5064 - -15.5005 -15.4998 -15.4957 -15.4954 -2.0839 -2.0823 0.3305 0.3503 - 5.6082 5.8389 6.5921 6.8806 8.0732 8.1839 9.9459 9.9472 - 11.7300 11.8612 12.3792 12.5373 16.6900 16.7361 17.1176 17.1354 - 19.2929 19.3037 19.4391 19.4513 22.1449 22.2669 22.5277 22.5904 - - k =-0.6050 0.8204-0.0000 ( 900 PWs) bands (ev): - - -28.4979 -28.4978 -28.4932 -28.4932 -27.0309 -27.0307 -27.0277 -27.0276 - -27.0232 -27.0232 -16.0905 -16.0902 -16.0854 -16.0849 -15.5071 -15.5063 - -15.5005 -15.4998 -15.4957 -15.4954 -2.0696 -2.0680 0.3504 0.3714 - 5.5097 5.7394 6.4930 6.7731 8.0794 8.1835 9.9623 9.9634 - 11.8880 12.0252 12.5180 12.6805 16.5940 16.6370 17.0088 17.0248 - 19.3492 19.3591 19.4834 19.4975 22.2575 22.3835 22.5912 22.6525 - - k =-0.6050 0.8102-0.0000 ( 896 PWs) bands (ev): - - -28.4972 -28.4970 -28.4920 -28.4920 -27.0301 -27.0299 -27.0267 -27.0266 - -27.0221 -27.0220 -16.0877 -16.0871 -16.0837 -16.0835 -15.5037 -15.5030 - -15.4995 -15.4988 -15.4934 -15.4930 -2.0550 -2.0532 0.3710 0.3932 - 5.4133 5.6422 6.3928 6.6653 8.0882 8.1866 9.9791 9.9801 - 12.0465 12.1894 12.6557 12.8224 16.4999 16.5395 16.9020 16.9161 - 19.4076 19.4166 19.5331 19.5492 22.3577 22.4878 22.6304 22.6858 - - k =-0.6050 0.7999-0.0000 ( 896 PWs) bands (ev): - - -28.4971 -28.4970 -28.4920 -28.4920 -27.0300 -27.0299 -27.0267 -27.0266 - -27.0220 -27.0220 -16.0876 -16.0871 -16.0837 -16.0834 -15.5036 -15.5029 - -15.4994 -15.4987 -15.4934 -15.4930 -2.0401 -2.0382 0.3923 0.4157 - 5.3190 5.5475 6.2920 6.5577 8.0993 8.1926 9.9963 9.9974 - 12.2051 12.3535 12.7920 12.9628 16.4079 16.4439 16.7973 16.8093 - 19.4671 19.4751 19.5892 19.6072 22.4404 22.5738 22.6491 22.6898 - - k =-0.6050 0.7897 0.0000 ( 898 PWs) bands (ev): - - -28.4978 -28.4977 -28.4922 -28.4922 -27.0307 -27.0305 -27.0270 -27.0269 - -27.0224 -27.0224 -16.0889 -16.0882 -16.0845 -16.0844 -15.5042 -15.5038 - -15.5002 -15.4999 -15.4948 -15.4944 -2.0249 -2.0229 0.4143 0.4389 - 5.2272 5.4554 6.1910 6.4507 8.1121 8.2011 10.0139 10.0151 - 12.3634 12.5173 12.9269 13.1015 16.3183 16.3505 16.6950 16.7047 - 19.5270 19.5340 19.6525 19.6721 22.4956 22.6220 22.6676 22.6714 - - k =-0.6050 0.7794 0.0000 ( 898 PWs) bands (ev): - - -28.4977 -28.4976 -28.4921 -28.4921 -27.0306 -27.0304 -27.0270 -27.0269 - -27.0223 -27.0223 -16.0888 -16.0881 -16.0844 -16.0843 -15.5041 -15.5038 - -15.5001 -15.4997 -15.4948 -15.4944 -2.0095 -2.0074 0.4368 0.4628 - 5.1380 5.3661 6.0903 6.3446 8.1265 8.2118 10.0318 10.0332 - 12.5210 12.6804 13.0601 13.2383 16.2314 16.2595 16.5952 16.6023 - 19.5870 19.5928 19.7233 19.7442 22.5073 22.6176 22.6411 22.7095 - - k =-0.6050 0.7692 0.0000 ( 898 PWs) bands (ev): - - -28.4977 -28.4976 -28.4921 -28.4920 -27.0305 -27.0304 -27.0269 -27.0268 - -27.0223 -27.0223 -16.0888 -16.0880 -16.0843 -16.0842 -15.5040 -15.5037 - -15.5000 -15.4996 -15.4948 -15.4944 -1.9940 -1.9918 0.4599 0.4871 - 5.0516 5.2797 5.9901 6.2398 8.1422 8.2244 10.0500 10.0517 - 12.6776 12.8422 13.1915 13.3729 16.1474 16.1712 16.4981 16.5024 - 19.6474 19.6521 19.8012 19.8232 22.4758 22.5606 22.6485 22.7311 - - k =-0.6050 0.7589 0.0000 ( 898 PWs) bands (ev): - - -28.4978 -28.4977 -28.4918 -28.4918 -27.0308 -27.0306 -27.0267 -27.0266 - -27.0220 -27.0220 -16.0895 -16.0885 -16.0838 -16.0832 -15.5050 -15.5042 - -15.4999 -15.4990 -15.4939 -15.4938 -1.9784 -1.9761 0.4835 0.5120 - 4.9682 5.1965 5.8907 6.1363 8.1590 8.2385 10.0685 10.0703 - 12.8327 13.0024 13.3208 13.5049 16.0664 16.0859 16.4040 16.4052 - 19.7086 19.7123 19.8858 19.9086 22.4204 22.4898 22.6474 22.7297 - - k =-0.6050 0.7487-0.0000 ( 898 PWs) bands (ev): - - -28.4978 -28.4977 -28.4917 -28.4917 -27.0308 -27.0306 -27.0266 -27.0265 - -27.0220 -27.0220 -16.0895 -16.0885 -16.0837 -16.0830 -15.5050 -15.5042 - -15.4999 -15.4989 -15.4938 -15.4937 -1.9628 -1.9604 0.5075 0.5372 - 4.8879 5.1166 5.7924 6.0344 8.1768 8.2540 10.0871 10.0891 - 12.9858 13.1603 13.4481 13.6342 15.9884 16.0043 16.3107 16.3130 - 19.7710 19.7743 19.9764 20.0001 22.3529 22.4114 22.6297 22.7067 - - k =-0.6050 0.7384-0.0000 ( 902 PWs) bands (ev): - - -28.4987 -28.4986 -28.4926 -28.4926 -27.0318 -27.0317 -27.0277 -27.0276 - -27.0226 -27.0226 -16.0922 -16.0913 -16.0852 -16.0846 -15.5082 -15.5076 - -15.5015 -15.5007 -15.4951 -15.4950 -1.9473 -1.9448 0.5318 0.5628 - 4.8108 5.0400 5.6954 5.9343 8.1954 8.2708 10.1059 10.1081 - 13.1364 13.3152 13.5733 13.7602 15.9132 15.9272 16.2192 16.2255 - 19.8352 19.8385 20.0725 20.0972 22.2786 22.3283 22.5958 22.6658 - - k =-0.6050 0.7281 0.0000 ( 896 PWs) bands (ev): - - -28.4976 -28.4974 -28.4910 -28.4910 -27.0307 -27.0305 -27.0262 -27.0261 - -27.0210 -27.0210 -16.0888 -16.0878 -16.0819 -16.0818 -15.5048 -15.5042 - -15.4971 -15.4970 -15.4930 -15.4928 -1.9320 -1.9294 0.5564 0.5887 - 4.7372 4.9671 5.5999 5.8361 8.2147 8.2885 10.1246 10.1270 - 13.2838 13.4660 13.6966 13.8827 15.8401 15.8560 16.1310 16.1418 - 19.9016 19.9052 20.1739 20.1996 22.2007 22.2428 22.5482 22.6110 - - k =-0.6050 0.7179 0.0000 ( 896 PWs) bands (ev): - - -28.4976 -28.4974 -28.4910 -28.4909 -27.0307 -27.0305 -27.0262 -27.0261 - -27.0210 -27.0210 -16.0888 -16.0878 -16.0819 -16.0818 -15.5048 -15.5042 - -15.4970 -15.4969 -15.4930 -15.4928 -1.9169 -1.9142 0.5812 0.6147 - 4.6671 4.8978 5.5060 5.7399 8.2345 8.3071 10.1434 10.1459 - 13.4275 13.6114 13.8182 14.0012 15.7693 15.7911 16.0464 16.0623 - 19.9703 19.9745 20.2802 20.3070 22.1212 22.1562 22.4899 22.5459 - - k =-0.6050 0.7076 0.0000 ( 900 PWs) bands (ev): - - -28.4988 -28.4987 -28.4916 -28.4916 -27.0319 -27.0317 -27.0275 -27.0274 - -27.0213 -27.0213 -16.0918 -16.0909 -16.0833 -16.0830 -15.5077 -15.5071 - -15.4999 -15.4996 -15.4938 -15.4936 -1.9022 -1.8994 0.6062 0.6408 - 4.6007 4.8324 5.4140 5.6459 8.2548 8.3265 10.1620 10.1646 - 13.5663 13.7497 13.9388 14.1152 15.7021 15.7324 15.9657 15.9875 - 20.0418 20.0466 20.3913 20.4194 22.0415 22.0698 22.4236 22.4735 - - k =-0.6050 0.6974 0.0000 ( 902 PWs) bands (ev): - - -28.4994 -28.4993 -28.4919 -28.4919 -27.0327 -27.0325 -27.0276 -27.0275 - -27.0218 -27.0218 -16.0930 -16.0920 -16.0842 -16.0840 -15.5089 -15.5081 - -15.5007 -15.5003 -15.4952 -15.4951 -1.8878 -1.8850 0.6311 0.6669 - 4.5383 4.7709 5.3240 5.5542 8.2755 8.3464 10.1804 10.1831 - 13.6995 13.8791 14.0589 14.2240 15.6391 15.6803 15.8893 15.9179 - 20.1162 20.1217 20.5069 20.5365 21.9629 21.9846 22.3515 22.3960 - - k =-0.6050 0.6871 0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.5000 -28.4921 -28.4921 -27.0337 -27.0335 -27.0277 -27.0276 - -27.0221 -27.0221 -16.0946 -16.0936 -16.0849 -16.0846 -15.5110 -15.5101 - -15.5010 -15.5008 -15.4960 -15.4959 -1.8740 -1.8711 0.6560 0.6928 - 4.4798 4.7136 5.2361 5.4650 8.2965 8.3669 10.1984 10.2013 - 13.8257 13.9979 14.1784 14.3269 15.5811 15.6351 15.8181 15.8543 - 20.1936 20.1998 20.6268 20.6581 21.8864 21.9015 22.2754 22.3151 - - k =-0.6050 0.6769 0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.5000 -28.4921 -28.4921 -27.0337 -27.0335 -27.0276 -27.0275 - -27.0221 -27.0221 -16.0946 -16.0936 -16.0848 -16.0846 -15.5110 -15.5102 - -15.5010 -15.5007 -15.4960 -15.4959 -1.8608 -1.8578 0.6807 0.7186 - 4.4254 4.6604 5.1505 5.3782 8.3177 8.3877 10.2161 10.2191 - 13.9435 14.1052 14.2961 14.4232 15.5292 15.5976 15.7530 15.7976 - 20.2740 20.2810 20.7506 20.7838 21.8131 21.8213 22.1967 22.2323 - - k =-0.6050 0.6666 0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.5000 -28.4921 -28.4920 -27.0337 -27.0335 -27.0276 -27.0275 - -27.0221 -27.0220 -16.0946 -16.0936 -16.0847 -16.0845 -15.5111 -15.5102 - -15.5009 -15.5006 -15.4959 -15.4958 -1.8482 -1.8453 0.7052 0.7440 - 4.3753 4.6115 5.0674 5.2942 8.3389 8.4088 10.2333 10.2364 - 14.0514 14.2010 14.4096 14.5118 15.4845 15.5683 15.6956 15.7487 - 20.3574 20.3653 20.8775 20.9133 21.7438 21.7456 22.1166 22.1485 - - k =-0.6050 0.6564-0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.5000 -28.4920 -28.4920 -27.0337 -27.0335 -27.0275 -27.0274 - -27.0220 -27.0220 -16.0946 -16.0935 -16.0847 -16.0844 -15.5111 -15.5102 - -15.5008 -15.5005 -15.4958 -15.4957 -1.8364 -1.8334 0.7293 0.7691 - 4.3295 4.5671 4.9869 5.2130 8.3601 8.4300 10.2500 10.2532 - 14.1477 14.2854 14.5153 14.5916 15.4486 15.5469 15.6482 15.7087 - 20.4436 20.4526 21.0061 21.0454 21.6743 21.6819 22.0361 22.0648 - - k =-0.6050 0.6461 0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.4999 -28.4919 -28.4919 -27.0337 -27.0335 -27.0274 -27.0273 - -27.0220 -27.0219 -16.0945 -16.0935 -16.0846 -16.0843 -15.5110 -15.5102 - -15.5006 -15.5004 -15.4957 -15.4956 -1.8255 -1.8225 0.7529 0.7935 - 4.2883 4.5271 4.9092 5.1347 8.3813 8.4514 10.2659 10.2692 - 14.2310 14.3580 14.6090 14.6613 15.4240 15.5318 15.6149 15.6788 - 20.5323 20.5425 21.1333 21.1775 21.6122 21.6292 21.9565 21.9824 - - k =-0.6050 0.6358-0.0000 ( 902 PWs) bands (ev): - - -28.4995 -28.4994 -28.4914 -28.4914 -27.0333 -27.0332 -27.0266 -27.0264 - -27.0216 -27.0215 -16.0934 -16.0923 -16.0834 -16.0831 -15.5102 -15.5093 - -15.4990 -15.4988 -15.4947 -15.4946 -1.8155 -1.8125 0.7760 0.8173 - 4.2516 4.4918 4.8344 5.0595 8.4023 8.4727 10.2811 10.2845 - 14.3005 14.4185 14.6865 14.7191 15.4133 15.5205 15.6008 15.6601 - 20.6228 20.6346 21.2504 21.3006 21.5677 21.5944 21.8797 21.9030 - - k =-0.6050 0.6256 0.0000 ( 896 PWs) bands (ev): - - -28.4976 -28.4974 -28.4905 -28.4904 -27.0310 -27.0308 -27.0257 -27.0256 - -27.0203 -27.0203 -16.0894 -16.0883 -16.0809 -16.0804 -15.5053 -15.5047 - -15.4977 -15.4974 -15.4907 -15.4905 -1.8065 -1.8035 0.7985 0.8404 - 4.2195 4.4611 4.7627 4.9876 8.4230 8.4939 10.2955 10.2990 - 14.3561 14.4663 14.7440 14.7634 15.4187 15.5143 15.6063 15.6533 - 20.7137 20.7274 21.3351 21.3796 21.5730 21.5953 21.8121 21.8324 - - k =-0.6050 0.6153-0.0000 ( 896 PWs) bands (ev): - - -28.4976 -28.4975 -28.4904 -28.4904 -27.0311 -27.0309 -27.0257 -27.0256 - -27.0203 -27.0203 -16.0895 -16.0884 -16.0808 -16.0803 -15.5054 -15.5049 - -15.4978 -15.4975 -15.4906 -15.4905 -1.7987 -1.7956 0.8201 0.8626 - 4.1921 4.4351 4.6943 4.9190 8.4434 8.5149 10.3088 10.3125 - 14.3987 14.5016 14.7797 14.7932 15.4396 15.5180 15.6267 15.6590 - 20.8024 20.8185 21.3666 21.3853 21.6220 21.6308 21.7858 21.8020 - - k =-0.6050 0.6051 0.0000 ( 898 PWs) bands (ev): - - -28.4976 -28.4974 -28.4914 -28.4914 -27.0309 -27.0308 -27.0265 -27.0264 - -27.0212 -27.0211 -16.0894 -16.0885 -16.0830 -16.0826 -15.5057 -15.5053 - -15.4988 -15.4986 -15.4925 -15.4923 -1.7919 -1.7889 0.8409 0.8837 - 4.1695 4.4138 4.6294 4.8538 8.4634 8.5356 10.3212 10.3249 - 14.4297 14.5251 14.7947 14.8095 15.4722 15.5347 15.6570 15.6775 - 20.8842 20.9026 21.3698 21.3747 21.5941 21.6129 21.8724 21.8788 - - k =-0.6050 0.5948 0.0000 ( 898 PWs) bands (ev): - - -28.4976 -28.4975 -28.4914 -28.4914 -27.0310 -27.0309 -27.0265 -27.0264 - -27.0211 -27.0211 -16.0895 -16.0886 -16.0830 -16.0825 -15.5059 -15.5054 - -15.4988 -15.4987 -15.4925 -15.4922 -1.7865 -1.7835 0.8606 0.9038 - 4.1517 4.3973 4.5684 4.7924 8.4829 8.5560 10.3324 10.3363 - 14.4508 14.5386 14.7942 14.8134 15.5107 15.5631 15.6935 15.7082 - 20.9515 20.9702 21.3764 21.3827 21.5360 21.5511 22.0112 22.0189 - - k =-0.6050 0.5846-0.0000 ( 900 PWs) bands (ev): - - -28.4989 -28.4988 -28.4911 -28.4911 -27.0326 -27.0325 -27.0269 -27.0268 - -27.0206 -27.0205 -16.0918 -16.0908 -16.0830 -16.0827 -15.5088 -15.5082 - -15.4995 -15.4994 -15.4922 -15.4921 -1.7823 -1.7793 0.8792 0.9226 - 4.1386 4.3855 4.5114 4.7348 8.5018 8.5758 10.3425 10.3465 - 14.4641 14.5439 14.7839 14.8072 15.5515 15.5984 15.7345 15.7481 - 20.9963 21.0108 21.3965 21.4146 21.4790 21.4998 22.1650 22.1774 - - k =-0.6050 0.5743-0.0000 ( 898 PWs) bands (ev): - - -28.4987 -28.4986 -28.4905 -28.4905 -27.0324 -27.0323 -27.0262 -27.0261 - -27.0202 -27.0201 -16.0911 -16.0900 -16.0817 -16.0813 -15.5078 -15.5070 - -15.4985 -15.4983 -15.4913 -15.4913 -1.7794 -1.7766 0.8966 0.9400 - 4.1302 4.3780 4.4591 4.6811 8.5200 8.5952 10.3513 10.3554 - 14.4712 14.5428 14.7682 14.7938 15.5924 15.6363 15.7778 15.7936 - 21.0171 21.0250 21.3640 21.4076 21.4956 21.5353 22.3274 22.3432 - - k =-0.6050 0.5641 0.0000 ( 898 PWs) bands (ev): - - -28.4988 -28.4986 -28.4905 -28.4904 -27.0325 -27.0324 -27.0262 -27.0261 - -27.0202 -27.0201 -16.0912 -16.0902 -16.0817 -16.0813 -15.5079 -15.5072 - -15.4985 -15.4983 -15.4913 -15.4912 -1.7780 -1.7752 0.9127 0.9561 - 4.1263 4.3729 4.4139 4.6316 8.5375 8.6139 10.3587 10.3631 - 14.4738 14.5368 14.7500 14.7763 15.6315 15.6741 15.8202 15.8416 - 21.0184 21.0261 21.3048 21.3425 21.5979 21.6264 22.4946 22.5134 - - k =-0.6050 0.5538-0.0000 ( 898 PWs) bands (ev): - - -28.4988 -28.4987 -28.4905 -28.4904 -27.0326 -27.0325 -27.0261 -27.0261 - -27.0202 -27.0201 -16.0913 -16.0903 -16.0817 -16.0813 -15.5081 -15.5073 - -15.4985 -15.4983 -15.4912 -15.4912 -1.7779 -1.7752 0.9272 0.9705 - 4.1266 4.3558 4.3904 4.5864 8.5542 8.6319 10.3648 10.3694 - 14.4729 14.5273 14.7314 14.7569 15.6674 15.7105 15.8596 15.8888 - 21.0094 21.0234 21.2436 21.2796 21.7183 21.7407 22.6635 22.6856 - - k =-0.6050 0.5435-0.0000 ( 900 PWs) bands (ev): - - -28.4995 -28.4994 -28.4907 -28.4907 -27.0333 -27.0332 -27.0265 -27.0264 - -27.0206 -27.0205 -16.0928 -16.0919 -16.0823 -16.0820 -15.5093 -15.5085 - -15.4995 -15.4992 -15.4925 -15.4924 -1.7793 -1.7767 0.9402 0.9834 - 4.1306 4.3226 4.3934 4.5456 8.5700 8.6492 10.3694 10.3743 - 14.4696 14.5152 14.7138 14.7373 15.6993 15.7442 15.8951 15.9323 - 20.9987 21.0187 21.1855 21.2207 21.8503 21.8687 22.8268 22.8544 - - k =-0.6050 0.5333 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4988 -28.4904 -28.4904 -27.0328 -27.0327 -27.0260 -27.0259 - -27.0202 -27.0202 -16.0915 -16.0906 -16.0816 -16.0812 -15.5083 -15.5075 - -15.4984 -15.4982 -15.4914 -15.4913 -1.7821 -1.7796 0.9515 0.9945 - 4.1372 4.2926 4.4049 4.5095 8.5849 8.6656 10.3726 10.3777 - 14.4645 14.5012 14.6980 14.7187 15.7267 15.7738 15.9258 15.9699 - 20.9886 21.0131 21.1336 21.1676 21.9907 22.0060 22.9471 22.9864 - - k =-0.6050 0.5230 0.0000 ( 898 PWs) bands (ev): - - -28.4990 -28.4989 -28.4904 -28.4903 -27.0329 -27.0328 -27.0260 -27.0259 - -27.0202 -27.0201 -16.0916 -16.0907 -16.0815 -16.0811 -15.5085 -15.5077 - -15.4984 -15.4982 -15.4913 -15.4912 -1.7864 -1.7840 0.9611 1.0038 - 4.1443 4.2710 4.4215 4.4783 8.5988 8.6812 10.3743 10.3797 - 14.4581 14.4860 14.6844 14.7018 15.7495 15.7982 15.9509 16.0003 - 20.9783 21.0034 21.0939 21.1228 22.1369 22.1491 22.9022 22.9279 - - k =-0.6050 0.5128 0.0000 ( 900 PWs) bands (ev): - - -28.4992 -28.4991 -28.4912 -28.4911 -27.0331 -27.0329 -27.0264 -27.0264 - -27.0210 -27.0210 -16.0919 -16.0910 -16.0834 -16.0830 -15.5088 -15.5081 - -15.4992 -15.4991 -15.4934 -15.4933 -1.7921 -1.7899 0.9688 1.0112 - 4.1486 4.2616 4.4407 4.4543 8.6117 8.6958 10.3744 10.3803 - 14.4506 14.4700 14.6731 14.6871 15.7676 15.8166 15.9700 16.0229 - 20.9630 20.9821 21.0756 21.0915 22.2841 22.2923 22.7805 22.7959 - - k =-0.6050 0.5025 0.0000 ( 900 PWs) bands (ev): - - -28.4992 -28.4991 -28.4911 -28.4911 -27.0331 -27.0330 -27.0264 -27.0263 - -27.0210 -27.0209 -16.0920 -16.0910 -16.0833 -16.0829 -15.5089 -15.5082 - -15.4992 -15.4990 -15.4933 -15.4932 -1.7993 -1.7971 0.9747 1.0166 - 4.1475 4.2673 4.4287 4.4712 8.6235 8.7095 10.3731 10.3794 - 14.4424 14.4536 14.6640 14.6747 15.7810 15.8285 15.9830 16.0371 - 20.9370 20.9521 21.0764 21.0805 22.4073 22.4150 22.6817 22.6881 - - k =-0.6050 0.4923 0.0000 ( 900 PWs) bands (ev): - - -28.4992 -28.4991 -28.4911 -28.4910 -27.0331 -27.0330 -27.0263 -27.0262 - -27.0209 -27.0209 -16.0920 -16.0911 -16.0832 -16.0828 -15.5089 -15.5082 - -15.4991 -15.4990 -15.4932 -15.4931 -1.8078 -1.8058 0.9785 1.0201 - 4.1427 4.2862 4.4126 4.5017 8.6342 8.7222 10.3703 10.3770 - 14.4334 14.4372 14.6566 14.6644 15.7898 15.8336 15.9898 16.0430 - 20.9034 20.9195 21.0830 21.0940 22.4020 22.4268 22.7003 22.7208 - - k =-0.6050 0.4820 0.0000 ( 902 PWs) bands (ev): - - -28.4998 -28.4997 -28.4913 -28.4912 -27.0338 -27.0337 -27.0268 -27.0267 - -27.0211 -27.0210 -16.0932 -16.0923 -16.0841 -16.0837 -15.5101 -15.5091 - -15.5010 -15.5006 -15.4935 -15.4934 -1.8177 -1.8159 0.9804 1.0215 - 4.1380 4.3148 4.4015 4.5368 8.6437 8.7338 10.3661 10.3733 - 14.4203 14.4244 14.6503 14.6558 15.7943 15.8320 15.9907 16.0406 - 20.8693 20.8861 21.1011 21.1175 22.3007 22.3268 22.8197 22.8579 - - k =-0.6050 0.4718 0.0000 ( 904 PWs) bands (ev): - - -28.5005 -28.5004 -28.4915 -28.4915 -27.0346 -27.0345 -27.0271 -27.0271 - -27.0212 -27.0212 -16.0945 -16.0936 -16.0848 -16.0844 -15.5115 -15.5105 - -15.5020 -15.5016 -15.4942 -15.4941 -1.8289 -1.8272 0.9803 1.0209 - 4.1359 4.3504 4.3955 4.5763 8.6521 8.7444 10.3603 10.3681 - 14.4036 14.4145 14.6442 14.6485 15.7950 15.8240 15.9861 16.0302 - 20.8374 20.8535 21.1286 21.1480 22.1849 22.2112 22.7250 22.7497 - - k =-0.6050 0.4615-0.0000 ( 902 PWs) bands (ev): - - -28.4998 -28.4998 -28.4912 -28.4911 -27.0341 -27.0340 -27.0266 -27.0266 - -27.0208 -27.0208 -16.0930 -16.0921 -16.0842 -16.0838 -15.5108 -15.5097 - -15.5005 -15.5001 -15.4930 -15.4930 -1.8414 -1.8398 0.9781 1.0183 - 4.1378 4.3907 4.3959 4.6199 8.6594 8.7540 10.3533 10.3616 - 14.3864 14.4042 14.6372 14.6420 15.7924 15.8102 15.9770 16.0125 - 20.8080 20.8225 21.1639 21.1847 22.0711 22.0980 22.5654 22.5854 - - k =-0.6050 0.4512 0.0000 ( 902 PWs) bands (ev): - - -28.4999 -28.4998 -28.4912 -28.4911 -27.0342 -27.0340 -27.0266 -27.0265 - -27.0208 -27.0207 -16.0930 -16.0922 -16.0841 -16.0837 -15.5108 -15.5098 - -15.5005 -15.5001 -15.4930 -15.4929 -1.8550 -1.8536 0.9740 1.0136 - 4.1444 4.3994 4.4381 4.6675 8.6654 8.7624 10.3448 10.3539 - 14.3681 14.3932 14.6282 14.6353 15.7848 15.7939 15.9641 15.9882 - 20.7806 20.7931 21.2058 21.2270 21.9631 21.9906 22.4083 22.4252 - - k =-0.6050 0.4410 0.0000 ( 902 PWs) bands (ev): - - -28.4999 -28.4998 -28.4911 -28.4910 -27.0342 -27.0341 -27.0265 -27.0265 - -27.0208 -27.0207 -16.0930 -16.0923 -16.0840 -16.0836 -15.5108 -15.5098 - -15.5004 -15.5000 -15.4930 -15.4929 -1.8698 -1.8685 0.9679 1.0069 - 4.1559 4.4095 4.4886 4.7190 8.6703 8.7698 10.3351 10.3448 - 14.3481 14.3812 14.6166 14.6269 15.7638 15.7855 15.9480 15.9593 - 20.7542 20.7650 21.2538 21.2747 21.8618 21.8895 22.2583 22.2714 - - k =-0.6050 0.4307 0.0000 ( 900 PWs) bands (ev): - - -28.4998 -28.4997 -28.4902 -28.4902 -27.0341 -27.0339 -27.0261 -27.0261 - -27.0198 -27.0197 -16.0927 -16.0919 -16.0821 -16.0816 -15.5101 -15.5091 - -15.4997 -15.4993 -15.4910 -15.4908 -1.8855 -1.8844 0.9600 0.9982 - 4.1726 4.4249 4.5432 4.7741 8.6740 8.7762 10.3242 10.3347 - 14.3252 14.3675 14.6012 14.6159 15.7364 15.7801 15.9210 15.9362 - 20.7272 20.7377 21.3070 21.3273 21.7666 21.7935 22.1188 22.1265 - - k =-0.6050 0.4205 0.0000 ( 902 PWs) bands (ev): - - -28.5000 -28.5000 -28.4908 -28.4907 -27.0342 -27.0341 -27.0268 -27.0267 - -27.0203 -27.0202 -16.0932 -16.0925 -16.0836 -16.0831 -15.5105 -15.5096 - -15.5011 -15.5007 -15.4923 -15.4921 -1.9023 -1.9014 0.9503 0.9877 - 4.1946 4.4456 4.6016 4.8329 8.6766 8.7815 10.3121 10.3234 - 14.2981 14.3514 14.5804 14.6015 15.7064 15.7759 15.8849 15.9211 - 20.6982 20.7104 21.3646 21.3843 21.6751 21.6997 21.9945 21.9949 - - k =-0.6050 0.4102 0.0000 ( 906 PWs) bands (ev): - - -28.5013 -28.5012 -28.4914 -28.4913 -27.0353 -27.0352 -27.0277 -27.0277 - -27.0210 -27.0209 -16.0960 -16.0954 -16.0850 -16.0845 -15.5125 -15.5117 - -15.5038 -15.5035 -15.4940 -15.4939 -1.9200 -1.9191 0.9388 0.9754 - 4.2218 4.4715 4.6636 4.8951 8.6781 8.7859 10.2990 10.3111 - 14.2652 14.3318 14.5527 14.5834 15.6753 15.7713 15.8499 15.9096 - 20.6662 20.6814 21.4248 21.4452 21.5824 21.6042 21.8820 21.8927 - - k =-0.6050 0.4000-0.0000 ( 908 PWs) bands (ev): - - -28.5020 -28.5019 -28.4916 -28.4916 -27.0360 -27.0359 -27.0282 -27.0281 - -27.0213 -27.0212 -16.0977 -16.0972 -16.0853 -16.0849 -15.5136 -15.5128 - -15.5054 -15.5051 -15.4946 -15.4945 -1.9384 -1.9377 0.9258 0.9615 - 4.2542 4.5027 4.7290 4.9607 8.6786 8.7893 10.2848 10.2978 - 14.2249 14.3073 14.5170 14.5611 15.6446 15.7584 15.8272 15.9031 - 20.6308 20.6491 21.4570 21.4842 21.5151 21.5254 21.7961 21.8173 - - k =-0.6050 0.3897 0.0000 ( 906 PWs) bands (ev): - - -28.5014 -28.5014 -28.4913 -28.4912 -27.0355 -27.0354 -27.0276 -27.0276 - -27.0210 -27.0210 -16.0962 -16.0955 -16.0849 -16.0844 -15.5125 -15.5116 - -15.5041 -15.5036 -15.4940 -15.4939 -1.9576 -1.9570 0.9112 0.9460 - 4.2917 4.5389 4.7976 5.0294 8.6780 8.7919 10.2698 10.2837 - 14.1757 14.2762 14.4726 14.5343 15.6161 15.7299 15.8268 15.9030 - 20.5917 20.6128 21.3600 21.3824 21.5734 21.5802 21.7399 21.7685 - - k =-0.6050 0.3795-0.0000 ( 906 PWs) bands (ev): - - -28.5011 -28.5010 -28.4917 -28.4916 -27.0352 -27.0350 -27.0272 -27.0272 - -27.0218 -27.0217 -16.0954 -16.0948 -16.0858 -16.0853 -15.5118 -15.5109 - -15.5031 -15.5027 -15.4959 -15.4957 -1.9774 -1.9768 0.8953 0.9290 - 4.3342 4.5801 4.8693 5.1012 8.6765 8.7936 10.2540 10.2689 - 14.1165 14.2364 14.4196 14.5025 15.5910 15.6950 15.8422 15.9104 - 20.5487 20.5719 21.2436 21.2661 21.6438 21.6511 21.7101 21.7432 - - k =-0.6050 0.3692 0.0000 ( 902 PWs) bands (ev): - - -28.4998 -28.4997 -28.4911 -28.4911 -27.0336 -27.0335 -27.0269 -27.0269 - -27.0210 -27.0209 -16.0925 -16.0918 -16.0844 -16.0839 -15.5083 -15.5075 - -15.5023 -15.5020 -15.4936 -15.4935 -1.9977 -1.9972 0.8782 0.9108 - 4.3816 4.6262 4.9440 5.1760 8.6741 8.7945 10.2375 10.2534 - 14.0466 14.1857 14.3590 14.4648 15.5710 15.6615 15.8678 15.9262 - 20.5023 20.5268 21.1247 21.1470 21.7014 21.7100 21.7242 21.7460 - - k =-0.6050 0.3589-0.0000 ( 904 PWs) bands (ev): - - -28.5001 -28.5000 -28.4919 -28.4919 -27.0338 -27.0337 -27.0275 -27.0274 - -27.0218 -27.0217 -16.0930 -16.0924 -16.0862 -16.0857 -15.5091 -15.5083 - -15.5036 -15.5033 -15.4951 -15.4949 -2.0185 -2.0180 0.8600 0.8915 - 4.4337 4.6770 5.0214 5.2536 8.6708 8.7948 10.2203 10.2373 - 13.9660 14.1219 14.2922 14.4201 15.5572 15.6333 15.9017 15.9505 - 20.4530 20.4780 21.0066 21.0281 21.7104 21.7337 21.8001 21.8075 - - k =-0.6050 0.3487 0.0000 ( 904 PWs) bands (ev): - - -28.5002 -28.5001 -28.4920 -28.4919 -27.0339 -27.0338 -27.0274 -27.0274 - -27.0218 -27.0218 -16.0931 -16.0925 -16.0862 -16.0857 -15.5092 -15.5084 - -15.5036 -15.5033 -15.4952 -15.4950 -2.0397 -2.0392 0.8408 0.8711 - 4.4904 4.7323 5.1014 5.3339 8.6669 8.7944 10.2026 10.2206 - 13.8753 14.0438 14.2205 14.3674 15.5505 15.6126 15.9431 15.9832 - 20.4016 20.4265 20.8908 20.9114 21.7330 21.7551 21.8782 21.8858 - - k =-0.6050 0.3384-0.0000 ( 904 PWs) bands (ev): - - -28.5002 -28.5002 -28.4920 -28.4919 -27.0340 -27.0339 -27.0274 -27.0274 - -27.0219 -27.0218 -16.0932 -16.0926 -16.0862 -16.0857 -15.5092 -15.5085 - -15.5035 -15.5033 -15.4953 -15.4951 -2.0611 -2.0605 0.8209 0.8500 - 4.5515 4.7921 5.1839 5.4167 8.6622 8.7936 10.1844 10.2036 - 13.7750 13.9518 14.1441 14.3057 15.5514 15.6009 15.9914 16.0239 - 20.3487 20.3732 20.7783 20.7977 21.7665 21.7857 21.9571 21.9668 - - k =-0.6050 0.3282 0.0000 ( 902 PWs) bands (ev): - - -28.4998 -28.4997 -28.4915 -28.4914 -27.0337 -27.0337 -27.0267 -27.0267 - -27.0215 -27.0215 -16.0922 -16.0917 -16.0851 -16.0847 -15.5084 -15.5076 - -15.5021 -15.5018 -15.4944 -15.4943 -2.0827 -2.0821 0.8002 0.8281 - 4.6169 4.8562 5.2688 5.5020 8.6570 8.7924 10.1659 10.1863 - 13.6662 13.8472 14.0625 14.2346 15.5602 15.5991 16.0461 16.0720 - 20.2951 20.3189 20.6695 20.6876 21.8086 21.8249 22.0359 22.0489 - - k =-0.6050 0.3179-0.0000 ( 902 PWs) bands (ev): - - -28.4996 -28.4996 -28.4918 -28.4917 -27.0334 -27.0333 -27.0269 -27.0269 - -27.0218 -27.0217 -16.0918 -16.0913 -16.0857 -16.0852 -15.5081 -15.5074 - -15.5025 -15.5023 -15.4946 -15.4944 -2.1045 -2.1038 0.7790 0.8056 - 4.6863 4.9244 5.3559 5.5896 8.6513 8.7908 10.1470 10.1687 - 13.5497 13.7322 13.9751 14.1541 15.5766 15.6074 16.1067 16.1270 - 20.2413 20.2641 20.5647 20.5814 21.8570 21.8715 22.1139 22.1307 - - k =-0.6050 0.3077 0.0000 ( 902 PWs) bands (ev): - - -28.4997 -28.4996 -28.4918 -28.4917 -27.0335 -27.0334 -27.0269 -27.0269 - -27.0218 -27.0217 -16.0919 -16.0914 -16.0857 -16.0852 -15.5081 -15.5074 - -15.5025 -15.5023 -15.4947 -15.4945 -2.1262 -2.1255 0.7574 0.7828 - 4.7597 4.9965 5.4450 5.6794 8.6451 8.7890 10.1280 10.1509 - 13.4265 13.6084 13.8816 14.0647 15.6001 15.6257 16.1727 16.1883 - 20.1877 20.2095 20.4642 20.4794 21.9094 21.9247 22.1896 22.2109 - - k =-0.6050 0.2974 0.0000 ( 902 PWs) bands (ev): - - -28.4997 -28.4996 -28.4918 -28.4917 -27.0336 -27.0335 -27.0269 -27.0269 - -27.0218 -27.0218 -16.0919 -16.0915 -16.0857 -16.0852 -15.5081 -15.5075 - -15.5024 -15.5023 -15.4948 -15.4945 -2.1480 -2.1471 0.7354 0.7596 - 4.8368 5.0725 5.5361 5.7713 8.6387 8.7872 10.1088 10.1330 - 13.2974 13.4774 13.7821 13.9670 15.6304 15.6534 16.2438 16.2554 - 20.1347 20.1554 20.3681 20.3818 21.9641 21.9827 22.2611 22.2876 - - k =-0.6050 0.2872 0.0000 ( 902 PWs) bands (ev): - - -28.4997 -28.4996 -28.4918 -28.4917 -27.0336 -27.0335 -27.0270 -27.0270 - -27.0217 -27.0217 -16.0917 -16.0913 -16.0859 -16.0855 -15.5082 -15.5076 - -15.5027 -15.5026 -15.4944 -15.4942 -2.1695 -2.1687 0.7133 0.7363 - 4.9174 5.1522 5.6290 5.8650 8.6322 8.7854 10.0896 10.1152 - 13.1633 13.3404 13.6769 13.8618 15.6671 15.6897 16.3194 16.3277 - 20.0825 20.1020 20.2767 20.2886 22.0197 22.0436 22.3255 22.3581 - - k =-0.6050 0.2769 0.0000 ( 902 PWs) bands (ev): - - -28.4997 -28.4997 -28.4918 -28.4918 -27.0336 -27.0335 -27.0270 -27.0270 - -27.0218 -27.0217 -16.0917 -16.0914 -16.0859 -16.0855 -15.5082 -15.5076 - -15.5027 -15.5026 -15.4944 -15.4942 -2.1909 -2.1900 0.6912 0.7130 - 5.0015 5.2353 5.7236 5.9606 8.6255 8.7838 10.0704 10.0974 - 13.0249 13.1984 13.5664 13.7501 15.7099 15.7333 16.3993 16.4051 - 20.0310 20.0494 20.1900 20.2001 22.0746 22.1049 22.3787 22.4182 - - k =-0.6050 0.2666 0.0000 ( 904 PWs) bands (ev): - - -28.5004 -28.5004 -28.4921 -28.4920 -27.0345 -27.0344 -27.0272 -27.0271 - -27.0222 -27.0221 -16.0933 -16.0930 -16.0865 -16.0861 -15.5100 -15.5094 - -15.5030 -15.5029 -15.4957 -15.4955 -2.2121 -2.2111 0.6691 0.6897 - 5.0888 5.3218 5.8197 6.0577 8.6189 8.7825 10.0512 10.0798 - 12.8828 13.0524 13.4512 13.6327 15.7586 15.7833 16.4828 16.4872 - 19.9801 19.9973 20.1086 20.1166 22.1267 22.1643 22.4151 22.4622 - - k =-0.6050 0.2564 0.0000 ( 906 PWs) bands (ev): - - -28.5010 -28.5010 -28.4924 -28.4923 -27.0352 -27.0352 -27.0275 -27.0274 - -27.0225 -27.0225 -16.0948 -16.0945 -16.0872 -16.0868 -15.5117 -15.5112 - -15.5036 -15.5035 -15.4966 -15.4964 -2.2329 -2.2318 0.6471 0.6666 - 5.1792 5.4114 5.9171 6.1563 8.6125 8.7816 10.0322 10.0624 - 12.7376 12.9029 13.3317 13.5104 15.8127 15.8389 16.5695 16.5742 - 19.9294 19.9454 20.0330 20.0386 22.1730 22.2188 22.4279 22.4825 - - k =-0.6050 0.2461 0.0000 ( 906 PWs) bands (ev): - - -28.5011 -28.5010 -28.4924 -28.4923 -27.0352 -27.0352 -27.0274 -27.0274 - -27.0225 -27.0225 -16.0948 -16.0945 -16.0872 -16.0868 -15.5117 -15.5112 - -15.5036 -15.5034 -15.4966 -15.4965 -2.2533 -2.2522 0.6254 0.6438 - 5.2725 5.5040 6.0157 6.2562 8.6064 8.7814 10.0134 10.0453 - 12.5899 12.7507 13.2086 13.3838 15.8719 15.8994 16.6594 16.6653 - 19.8777 19.8925 19.9639 19.9678 22.2102 22.2645 22.4113 22.4717 - - k =-0.6050 0.2359 0.0000 ( 906 PWs) bands (ev): - - -28.5010 -28.5010 -28.4924 -28.4923 -27.0352 -27.0352 -27.0274 -27.0274 - -27.0225 -27.0225 -16.0948 -16.0945 -16.0871 -16.0867 -15.5117 -15.5112 - -15.5035 -15.5034 -15.4967 -15.4965 -2.2733 -2.2722 0.6040 0.6213 - 5.3685 5.5995 6.1153 6.3572 8.6009 8.7820 9.9948 10.0285 - 12.4403 12.5963 13.0824 13.2536 15.9355 15.9644 16.7526 16.7601 - 19.8238 19.8378 19.9013 19.9064 22.2335 22.2969 22.3643 22.4269 - - k =-0.6050 0.2256-0.0000 ( 908 PWs) bands (ev): - - -28.5017 -28.5017 -28.4926 -28.4925 -27.0360 -27.0360 -27.0276 -27.0276 - -27.0229 -27.0229 -16.0963 -16.0962 -16.0877 -16.0873 -15.5129 -15.5125 - -15.5045 -15.5042 -15.4977 -15.4976 -2.2928 -2.2916 0.5830 0.5992 - 5.4671 5.6977 6.2157 6.4590 8.5960 8.7836 9.9766 10.0122 - 12.2891 12.4401 12.9534 13.1204 16.0032 16.0332 16.8490 16.8582 - 19.7675 19.7810 19.8464 19.8537 22.2349 22.2894 22.3149 22.3522 - - k =-0.6050 0.2154 0.0000 ( 908 PWs) bands (ev): - - -28.5017 -28.5017 -28.4925 -28.4924 -27.0360 -27.0360 -27.0276 -27.0275 - -27.0229 -27.0229 -16.0963 -16.0962 -16.0876 -16.0872 -15.5129 -15.5125 - -15.5044 -15.5041 -15.4977 -15.4976 -2.3117 -2.3106 0.5625 0.5777 - 5.5680 5.7983 6.3167 6.5615 8.5919 8.7863 9.9586 9.9964 - 12.1368 12.2827 12.8221 12.9846 16.0745 16.1055 16.9485 16.9593 - 19.7104 19.7234 19.7987 19.8071 22.1761 22.2296 22.2603 22.3069 - - k =-0.6050 0.2051 0.0000 ( 908 PWs) bands (ev): - - -28.5017 -28.5017 -28.4925 -28.4924 -27.0360 -27.0359 -27.0275 -27.0274 - -27.0229 -27.0229 -16.0963 -16.0961 -16.0875 -16.0871 -15.5129 -15.5125 - -15.5043 -15.5040 -15.4977 -15.4975 -2.3300 -2.3289 0.5426 0.5568 - 5.6711 5.9012 6.4181 6.6642 8.5890 8.7905 9.9411 9.9811 - 11.9839 12.1244 12.6889 12.8467 16.1490 16.1808 17.0510 17.0634 - 19.6545 19.6672 19.7563 19.7648 22.0665 22.1295 22.2045 22.2747 - - k =-0.6050 0.1949-0.0000 ( 906 PWs) bands (ev): - - -28.5010 -28.5010 -28.4921 -28.4920 -27.0353 -27.0353 -27.0269 -27.0269 - -27.0225 -27.0225 -16.0948 -16.0947 -16.0867 -16.0863 -15.5114 -15.5111 - -15.5032 -15.5030 -15.4967 -15.4966 -2.3477 -2.3466 0.5233 0.5366 - 5.7763 6.0062 6.5197 6.7670 8.5873 8.7963 9.9239 9.9664 - 11.8308 11.9655 12.5542 12.7072 16.2263 16.2588 17.1563 17.1702 - 19.6009 19.6135 19.7177 19.7258 21.9431 22.0043 22.1442 22.2183 - - k =-0.6050 0.1846 0.0000 ( 908 PWs) bands (ev): - - -28.5016 -28.5016 -28.4923 -28.4922 -27.0361 -27.0360 -27.0271 -27.0270 - -27.0229 -27.0228 -16.0963 -16.0962 -16.0871 -16.0868 -15.5131 -15.5128 - -15.5037 -15.5034 -15.4976 -15.4975 -2.3648 -2.3636 0.5046 0.5170 - 5.8832 6.1129 6.6212 6.8693 8.5873 8.8040 9.9072 9.9523 - 11.6778 11.8065 12.4184 12.5663 16.3061 16.3391 17.2642 17.2796 - 19.5502 19.5632 19.6819 19.6895 21.8124 21.8713 22.0655 22.1399 - - k =-0.6050 0.1743 0.0000 ( 908 PWs) bands (ev): - - -28.5019 -28.5019 -28.4919 -28.4918 -27.0364 -27.0364 -27.0268 -27.0267 - -27.0226 -27.0226 -16.0969 -16.0969 -16.0863 -16.0860 -15.5136 -15.5134 - -15.5035 -15.5031 -15.4971 -15.4969 -2.3811 -2.3800 0.4868 0.4983 - 5.9916 6.2213 6.7223 6.9709 8.5892 8.8138 9.8909 9.9390 - 11.5254 11.6478 12.2817 12.4245 16.3878 16.4213 17.3747 17.3915 - 19.5031 19.5166 19.6486 19.6556 21.6774 21.7341 21.9705 22.0436 - - k =-0.6050 0.1641-0.0000 ( 906 PWs) bands (ev): - - -28.5015 -28.5015 -28.4913 -28.4913 -27.0362 -27.0362 -27.0258 -27.0257 - -27.0224 -27.0224 -16.0960 -16.0960 -16.0850 -16.0846 -15.5130 -15.5128 - -15.5010 -15.5006 -15.4968 -15.4967 -2.3966 -2.3955 0.4697 0.4803 - 6.1013 6.3308 6.8227 7.0710 8.5935 8.8261 9.8751 9.9265 - 11.3741 11.4897 12.1446 12.2821 16.4711 16.5049 17.4876 17.5058 - 19.4596 19.4739 19.6176 19.6241 21.5401 21.5947 21.8623 21.9332 - - k =-0.6050 0.1538 0.0000 ( 906 PWs) bands (ev): - - -28.5016 -28.5016 -28.4913 -28.4912 -27.0364 -27.0364 -27.0255 -27.0255 - -27.0225 -27.0224 -16.0962 -16.0962 -16.0848 -16.0845 -15.5134 -15.5132 - -15.5006 -15.5002 -15.4969 -15.4967 -2.4114 -2.4103 0.4534 0.4633 - 6.2120 6.4410 6.9222 7.1693 8.6005 8.8411 9.8598 9.9149 - 11.2243 11.3326 12.0074 12.1394 16.5556 16.5896 17.6028 17.6223 - 19.4201 19.4353 19.5886 19.5948 21.4017 21.4544 21.7441 21.8123 - - k =-0.6050 0.1436-0.0000 ( 906 PWs) bands (ev): - - -28.5016 -28.5016 -28.4912 -28.4912 -27.0364 -27.0364 -27.0255 -27.0254 - -27.0225 -27.0224 -16.0962 -16.0962 -16.0847 -16.0845 -15.5134 -15.5132 - -15.5005 -15.5002 -15.4968 -15.4967 -2.4253 -2.4243 0.4381 0.4471 - 6.3233 6.5516 7.0205 7.2649 8.6106 8.8591 9.8449 9.9041 - 11.0766 11.1769 11.8704 11.9968 16.6407 16.6748 17.7202 17.7409 - 19.3847 19.4009 19.5616 19.5677 21.2634 21.3143 21.6182 21.6836 - - k =-0.6050 0.1333 0.0000 ( 906 PWs) bands (ev): - - -28.5016 -28.5016 -28.4912 -28.4911 -27.0364 -27.0364 -27.0254 -27.0254 - -27.0225 -27.0224 -16.0962 -16.0962 -16.0847 -16.0844 -15.5134 -15.5133 - -15.5005 -15.5001 -15.4968 -15.4966 -2.4384 -2.4374 0.4236 0.4319 - 6.4347 6.6618 7.1174 7.3572 8.6244 8.8803 9.8304 9.8944 - 10.9318 11.0233 11.7340 11.8545 16.7260 16.7600 17.8396 17.8615 - 19.3536 19.3709 19.5364 19.5428 21.1259 21.1751 21.4867 21.5494 - - k =-0.6050 0.1231 0.0000 ( 906 PWs) bands (ev): - - -28.5016 -28.5016 -28.4912 -28.4911 -27.0364 -27.0364 -27.0254 -27.0253 - -27.0224 -27.0224 -16.0962 -16.0962 -16.0846 -16.0843 -15.5134 -15.5133 - -15.5004 -15.5001 -15.4967 -15.4966 -2.4506 -2.4497 0.4101 0.4177 - 6.5458 6.7709 7.2127 7.4455 8.6423 8.9049 9.8163 9.8858 - 10.7905 10.8722 11.5985 11.7130 16.8108 16.8445 17.9609 17.9840 - 19.3271 19.3454 19.5130 19.5201 20.9900 21.0376 21.3511 21.4111 - - k =-0.6050 0.1128 0.0000 ( 902 PWs) bands (ev): - - -28.5007 -28.5007 -28.4901 -28.4900 -27.0358 -27.0357 -27.0238 -27.0238 - -27.0217 -27.0217 -16.0942 -16.0942 -16.0821 -16.0819 -15.5119 -15.5118 - -15.4976 -15.4973 -15.4942 -15.4941 -2.4619 -2.4611 0.3977 0.4045 - 6.6559 6.8777 7.3064 7.5289 8.6645 8.9330 9.8026 9.8784 - 10.6538 10.7245 11.4644 11.5725 16.8947 16.9278 18.0840 18.1083 - 19.3053 19.3246 19.4914 19.4997 20.8563 20.9025 21.2126 21.2700 - - k =-0.6050 0.1026-0.0000 ( 902 PWs) bands (ev): - - -28.5007 -28.5007 -28.4900 -28.4900 -27.0357 -27.0357 -27.0238 -27.0237 - -27.0217 -27.0217 -16.0942 -16.0942 -16.0821 -16.0819 -15.5118 -15.5118 - -15.4976 -15.4972 -15.4941 -15.4940 -2.4723 -2.4715 0.3862 0.3923 - 6.7643 6.9810 7.3986 7.6071 8.6910 8.9641 9.7891 9.8722 - 10.5229 10.5811 11.3321 11.4336 16.9767 17.0090 18.2087 18.2341 - 19.2886 19.3087 19.4716 19.4815 20.7256 20.7703 21.0722 21.1270 - - k =-0.6050 0.0923 0.0000 ( 894 PWs) bands (ev): - - -28.4986 -28.4986 -28.4882 -28.4882 -27.0339 -27.0339 -27.0212 -27.0211 - -27.0204 -27.0204 -16.0896 -16.0895 -16.0779 -16.0777 -15.5076 -15.5076 - -15.4936 -15.4934 -15.4888 -15.4887 -2.4818 -2.4811 0.3758 0.3812 - 6.8700 7.0791 7.4897 7.6796 8.7214 8.9976 9.7759 9.8676 - 10.3993 10.4435 11.2023 11.2967 17.0561 17.0873 18.3348 18.3612 - 19.2772 19.2979 19.4537 19.4655 20.5984 20.6417 20.9306 20.9831 - - k =-0.6050 0.0820-0.0000 ( 896 PWs) bands (ev): - - -28.4993 -28.4993 -28.4885 -28.4885 -27.0348 -27.0348 -27.0215 -27.0214 - -27.0206 -27.0206 -16.0912 -16.0911 -16.0785 -16.0784 -15.5096 -15.5096 - -15.4942 -15.4940 -15.4894 -15.4894 -2.4903 -2.4896 0.3664 0.3712 - 6.9719 7.1700 7.5799 7.7467 8.7548 9.0321 9.7630 9.8645 - 10.2852 10.3135 11.0755 11.1623 17.1320 17.1617 18.4620 18.4894 - 19.2713 19.2923 19.4376 19.4519 20.4757 20.5175 20.7886 20.8387 - - k =-0.6050 0.0718 0.0000 ( 898 PWs) bands (ev): - - -28.5001 -28.5000 -28.4887 -28.4887 -27.0357 -27.0356 -27.0219 -27.0219 - -27.0207 -27.0207 -16.0929 -16.0928 -16.0791 -16.0789 -15.5117 -15.5116 - -15.4950 -15.4948 -15.4898 -15.4898 -2.4978 -2.4973 0.3581 0.3623 - 7.0684 7.2519 7.6694 7.8086 8.7894 9.0651 9.7508 9.8633 - 10.1830 10.1939 10.9525 11.0314 17.2033 17.2311 18.5900 18.6182 - 19.2714 19.2921 19.4235 19.4408 20.3582 20.3985 20.6470 20.6945 - - k =-0.6050 0.0615 0.0000 ( 900 PWs) bands (ev): - - -28.5007 -28.5006 -28.4891 -28.4890 -27.0363 -27.0363 -27.0220 -27.0219 - -27.0214 -27.0214 -16.0943 -16.0942 -16.0798 -16.0797 -15.5132 -15.5131 - -15.4955 -15.4954 -15.4911 -15.4911 -2.5044 -2.5039 0.3509 0.3545 - 7.1581 7.3227 7.7578 7.8663 8.8229 9.0927 9.7402 9.8638 - 10.0877 10.0960 10.8347 10.9048 17.2689 17.2942 18.7182 18.7469 - 19.2774 19.2973 19.4113 19.4324 20.2471 20.2857 20.5064 20.5514 - - k =-0.6050 0.0513 0.0000 ( 900 PWs) bands (ev): - - -28.5007 -28.5006 -28.4891 -28.4890 -27.0363 -27.0363 -27.0219 -27.0219 - -27.0214 -27.0214 -16.0943 -16.0942 -16.0798 -16.0797 -15.5132 -15.5131 - -15.4955 -15.4954 -15.4911 -15.4910 -2.5100 -2.5095 0.3449 0.3478 - 7.2393 7.3812 7.8435 7.9205 8.8531 9.1096 9.7331 9.8653 - 10.0008 10.0259 10.7234 10.7840 17.3277 17.3500 18.8457 18.8745 - 19.2892 19.3075 19.4015 19.4272 20.1438 20.1805 20.3681 20.4101 - - k =-0.6050 0.0410 0.0000 ( 898 PWs) bands (ev): - - -28.5001 -28.5001 -28.4887 -28.4886 -27.0357 -27.0357 -27.0214 -27.0214 - -27.0211 -27.0210 -16.0930 -16.0929 -16.0789 -16.0788 -15.5119 -15.5118 - -15.4948 -15.4947 -15.4897 -15.4897 -2.5145 -2.5142 0.3400 0.3423 - 7.3103 7.4264 7.9237 7.9713 8.8784 9.1102 9.7324 9.8633 - 9.9405 9.9753 10.6208 10.6712 17.3785 17.3972 18.9707 18.9987 - 19.3063 19.3222 19.3945 19.4256 20.0503 20.0843 20.2337 20.2720 - - k =-0.6050 0.0308 0.0000 ( 898 PWs) bands (ev): - - -28.5002 -28.5002 -28.4886 -28.4886 -27.0358 -27.0358 -27.0216 -27.0216 - -27.0209 -27.0208 -16.0931 -16.0931 -16.0787 -16.0787 -15.5119 -15.5118 - -15.4951 -15.4951 -15.4894 -15.4894 -2.5180 -2.5178 0.3362 0.3380 - 7.3698 7.4581 7.9941 8.0179 8.8993 9.0920 9.7394 9.8462 - 9.9187 9.9447 10.5305 10.5696 17.4200 17.4347 19.0896 19.1143 - 19.3282 19.3405 19.3918 19.4282 19.9690 19.9995 20.1070 20.1397 - - k =-0.6050 0.0205 0.0000 ( 900 PWs) bands (ev): - - -28.5008 -28.5008 -28.4889 -28.4889 -27.0364 -27.0364 -27.0217 -27.0216 - -27.0216 -27.0216 -16.0945 -16.0945 -16.0795 -16.0795 -15.5133 -15.5133 - -15.4958 -15.4957 -15.4907 -15.4907 -2.5206 -2.5204 0.3336 0.3348 - 7.4170 7.4762 8.0492 8.0573 8.9194 9.0582 9.7524 9.8213 - 9.9231 9.9328 10.4576 10.4844 17.4514 17.4614 19.1931 19.2094 - 19.3556 19.3615 19.3975 19.4352 19.9028 19.9283 19.9961 20.0188 - - k =-0.6050 0.0103 0.0000 ( 896 PWs) bands (ev): - - -28.5003 -28.5003 -28.4875 -28.4875 -27.0362 -27.0362 -27.0207 -27.0207 - -27.0199 -27.0199 -16.0934 -16.0934 -16.0763 -16.0763 -15.5128 -15.5128 - -15.4930 -15.4930 -15.4873 -15.4873 -2.5221 -2.5220 0.3321 0.3327 - 7.4513 7.4810 8.0839 8.0850 8.9439 9.0167 9.7676 9.8005 - 9.9324 9.9337 10.4102 10.4239 17.4716 17.4767 19.2612 19.2655 - 19.3830 19.3843 19.4204 19.4460 19.8536 19.8732 19.9195 19.9257 - - k =-0.6050 0.0000 0.0000 ( 894 PWs) bands (ev): - - -28.5000 -28.5000 -28.4868 -28.4868 -27.0361 -27.0361 -27.0198 -27.0198 - -27.0195 -27.0195 -16.0928 -16.0928 -16.0747 -16.0747 -15.5125 -15.5125 - -15.4914 -15.4914 -15.4858 -15.4858 -2.5225 -2.5225 0.3318 0.3318 - 7.4726 7.4726 8.0954 8.0954 8.9766 8.9766 9.7833 9.7833 - 9.9364 9.9364 10.3975 10.3975 17.4801 17.4801 19.2816 19.2816 - 19.3943 19.3943 19.4474 19.4474 19.8388 19.8388 19.8930 19.8930 - - k =-0.6050 0.0077-0.0044 ( 898 PWs) bands (ev): - - -28.5005 -28.5005 -28.4882 -28.4882 -27.0363 -27.0363 -27.0213 -27.0213 - -27.0206 -27.0206 -16.0940 -16.0940 -16.0779 -16.0779 -15.5131 -15.5130 - -15.4944 -15.4944 -15.4889 -15.4889 -2.5222 -2.5221 0.3320 0.3325 - 7.4549 7.4806 8.0869 8.0874 8.9478 9.0111 9.7697 9.7980 - 9.9335 9.9341 10.4063 10.4182 17.4734 17.4779 19.2666 19.2697 - 19.3846 19.3874 19.4249 19.4475 19.8489 19.8667 19.9137 19.9166 - - k =-0.6050 0.0154-0.0089 ( 898 PWs) bands (ev): - - -28.5005 -28.5005 -28.4882 -28.4882 -27.0363 -27.0363 -27.0214 -27.0213 - -27.0206 -27.0206 -16.0939 -16.0939 -16.0779 -16.0779 -15.5130 -15.5130 - -15.4945 -15.4944 -15.4889 -15.4889 -2.5211 -2.5209 0.3331 0.3341 - 7.4274 7.4788 8.0615 8.0653 8.9253 9.0473 9.7568 9.8150 - 9.9267 9.9309 10.4421 10.4654 17.4579 17.4667 19.2175 19.2299 - 19.3546 19.3638 19.4084 19.4420 19.8893 19.9076 19.9747 19.9888 - - k =-0.6050 0.0231-0.0133 ( 896 PWs) bands (ev): - - -28.4999 -28.4999 -28.4879 -28.4879 -27.0357 -27.0357 -27.0207 -27.0207 - -27.0204 -27.0204 -16.0926 -16.0926 -16.0771 -16.0771 -15.5117 -15.5117 - -15.4935 -15.4935 -15.4879 -15.4879 -2.5192 -2.5189 0.3350 0.3365 - 7.3903 7.4669 8.0212 8.0322 8.9074 9.0789 9.7474 9.8350 - 9.9218 9.9331 10.4989 10.5330 17.4339 17.4468 19.1403 19.1619 - 19.3128 19.3215 19.4182 19.4494 19.9422 19.9572 20.0664 20.0889 - - k =-0.6050 0.0308-0.0178 ( 895 PWs) bands (ev): - - -28.4996 -28.4996 -28.4878 -28.4877 -27.0353 -27.0353 -27.0206 -27.0206 - -27.0201 -27.0201 -16.0917 -16.0917 -16.0769 -16.0768 -15.5109 -15.5109 - -15.4931 -15.4930 -15.4875 -15.4874 -2.5165 -2.5162 0.3378 0.3398 - 7.3438 7.4446 7.9694 7.9915 8.8903 9.0987 9.7474 9.8577 - 9.9250 9.9438 10.5712 10.6154 17.4019 17.4185 19.0494 19.0761 - 19.2661 19.2726 19.4425 19.4703 20.0030 20.0159 20.1750 20.2020 - - k =-0.6050 0.0385-0.0222 ( 895 PWs) bands (ev): - - -28.4996 -28.4996 -28.4878 -28.4878 -27.0353 -27.0353 -27.0207 -27.0206 - -27.0201 -27.0201 -16.0917 -16.0917 -16.0769 -16.0768 -15.5109 -15.5108 - -15.4931 -15.4930 -15.4875 -15.4875 -2.5131 -2.5127 0.3415 0.3440 - 7.2881 7.4114 7.9104 7.9460 8.8705 9.1007 9.7632 9.8824 - 9.9411 9.9636 10.6552 10.7083 17.3625 17.3825 18.9533 18.9826 - 19.2163 19.2210 19.4761 19.5016 20.0699 20.0814 20.2928 20.3222 - - k =-0.6050 0.0462-0.0266 ( 895 PWs) bands (ev): - - -28.4996 -28.4996 -28.4878 -28.4878 -27.0353 -27.0353 -27.0207 -27.0206 - -27.0201 -27.0201 -16.0917 -16.0917 -16.0769 -16.0768 -15.5108 -15.5108 - -15.4931 -15.4930 -15.4875 -15.4875 -2.5089 -2.5085 0.3460 0.3491 - 7.2239 7.3668 7.8483 7.8976 8.8454 9.0831 9.7971 9.9097 - 9.9710 9.9917 10.7482 10.8093 17.3162 17.3391 18.8562 18.8865 - 19.1650 19.1681 19.5172 19.5412 20.1416 20.1521 20.4161 20.4469 - - k =-0.6050 0.0538-0.0311 ( 899 PWs) bands (ev): - - -28.5007 -28.5007 -28.4885 -28.4885 -27.0364 -27.0364 -27.0219 -27.0219 - -27.0206 -27.0206 -16.0943 -16.0943 -16.0787 -16.0785 -15.5134 -15.5133 - -15.4950 -15.4948 -15.4898 -15.4897 -2.5040 -2.5035 0.3514 0.3550 - 7.1519 7.3107 7.7862 7.8477 8.8138 9.0483 9.8468 9.9416 - 10.0126 10.0277 10.8485 10.9165 17.2637 17.2891 18.7601 18.7907 - 19.1131 19.1150 19.5646 19.5875 20.2170 20.2268 20.5429 20.5746 - - k =-0.6050 0.0615-0.0355 ( 901 PWs) bands (ev): - - -28.5012 -28.5012 -28.4890 -28.4889 -27.0370 -27.0370 -27.0223 -27.0222 - -27.0211 -27.0211 -16.0955 -16.0955 -16.0797 -16.0795 -15.5146 -15.5146 - -15.4953 -15.4951 -15.4915 -15.4914 -2.4983 -2.4978 0.3576 0.3617 - 7.0731 7.2433 7.7262 7.7971 8.7756 9.0009 9.9074 9.9793 - 10.0635 10.0713 10.9548 11.0288 17.2056 17.2329 18.6662 18.6964 - 19.0613 19.0623 19.6174 19.6394 20.2956 20.3047 20.6721 20.7045 - - k =-0.6050 0.0692-0.0400 ( 899 PWs) bands (ev): - - -28.5005 -28.5005 -28.4887 -28.4887 -27.0362 -27.0361 -27.0219 -27.0218 - -27.0210 -27.0209 -16.0939 -16.0939 -16.0791 -16.0789 -15.5128 -15.5128 - -15.4943 -15.4941 -15.4910 -15.4910 -2.4919 -2.4913 0.3646 0.3693 - 6.9884 7.1657 7.6692 7.7464 8.7316 8.9449 9.9740 10.0225 - 10.1222 10.1229 11.0664 11.1454 17.1424 17.1712 18.5752 18.6047 - 19.0103 19.0105 19.6749 19.6961 20.3769 20.3855 20.8029 20.8358 - - k =-0.6050 0.0769-0.0444 ( 899 PWs) bands (ev): - - -28.5005 -28.5005 -28.4887 -28.4887 -27.0362 -27.0361 -27.0219 -27.0219 - -27.0210 -27.0209 -16.0939 -16.0939 -16.0791 -16.0789 -15.5128 -15.5128 - -15.4943 -15.4941 -15.4911 -15.4910 -2.4848 -2.4841 0.3725 0.3777 - 6.8987 7.0794 7.6151 7.6958 8.6828 8.8833 10.0422 10.0702 - 10.1830 10.1874 11.1826 11.2657 17.0747 17.1045 18.4877 18.5160 - 18.9599 18.9603 19.7364 19.7568 20.4606 20.4688 20.9348 20.9681 - - k =-0.6050 0.0846-0.0488 ( 903 PWs) bands (ev): - - -28.5014 -28.5014 -28.4898 -28.4897 -27.0368 -27.0368 -27.0239 -27.0238 - -27.0212 -27.0212 -16.0959 -16.0959 -16.0815 -16.0813 -15.5144 -15.5143 - -15.4979 -15.4976 -15.4927 -15.4926 -2.4769 -2.4762 0.3811 0.3869 - 6.8049 6.9863 7.5635 7.6453 8.6303 8.8184 10.1096 10.1217 - 10.2516 10.2581 11.3027 11.3892 17.0028 17.0333 18.4040 18.4308 - 18.9107 18.9116 19.8014 19.8209 20.5464 20.5542 21.0672 21.1010 - - k =-0.6050 0.0923-0.0533 ( 903 PWs) bands (ev): - - -28.5014 -28.5014 -28.4898 -28.4898 -27.0368 -27.0368 -27.0240 -27.0239 - -27.0212 -27.0212 -16.0959 -16.0959 -16.0815 -16.0813 -15.5143 -15.5143 - -15.4980 -15.4977 -15.4928 -15.4926 -2.4684 -2.4676 0.3906 0.3970 - 6.7079 6.8879 7.5136 7.5950 8.5750 8.7514 10.1752 10.1764 - 10.3275 10.3332 11.4264 11.5155 16.9274 16.9581 18.3243 18.3493 - 18.8631 18.8644 19.8693 19.8879 20.6342 20.6417 21.1998 21.2341 - - k =-0.6050 0.1000-0.0577 ( 899 PWs) bands (ev): - - -28.5002 -28.5002 -28.4892 -28.4891 -27.0353 -27.0353 -27.0236 -27.0235 - -27.0202 -27.0202 -16.0931 -16.0930 -16.0800 -16.0798 -15.5109 -15.5108 - -15.4974 -15.4971 -15.4903 -15.4901 -2.4591 -2.4582 0.4008 0.4078 - 6.6083 6.7856 7.4651 7.5449 8.5176 8.6834 10.2338 10.2396 - 10.4090 10.4119 11.5532 11.6443 16.8487 16.8793 18.2486 18.2716 - 18.8172 18.8189 19.9397 19.9573 20.7240 20.7311 21.3321 21.3669 - - k =-0.6050 0.1077-0.0622 ( 899 PWs) bands (ev): - - -28.5002 -28.5002 -28.4892 -28.4891 -27.0353 -27.0353 -27.0236 -27.0236 - -27.0202 -27.0202 -16.0931 -16.0930 -16.0800 -16.0798 -15.5109 -15.5108 - -15.4975 -15.4971 -15.4903 -15.4901 -2.4491 -2.4482 0.4118 0.4194 - 6.5068 6.6807 7.4174 7.4950 8.4588 8.6149 10.2935 10.3037 - 10.4932 10.4942 11.6827 11.7752 16.7673 16.7974 18.1772 18.1979 - 18.7732 18.7752 20.0120 20.0285 20.8155 20.8224 21.4637 21.4991 - - k =-0.6050 0.1154-0.0666 ( 899 PWs) bands (ev): - - -28.5002 -28.5002 -28.4892 -28.4891 -27.0353 -27.0353 -27.0237 -27.0236 - -27.0202 -27.0202 -16.0930 -16.0930 -16.0801 -16.0798 -15.5109 -15.5108 - -15.4975 -15.4971 -15.4903 -15.4901 -2.4385 -2.4376 0.4235 0.4318 - 6.4040 6.5740 7.3702 7.4453 8.3991 8.5465 10.3552 10.3681 - 10.5765 10.5815 11.8146 11.9080 16.6834 16.7129 18.1099 18.1283 - 18.7311 18.7333 20.0859 20.1013 20.9087 20.9154 21.5941 21.6302 - - k =-0.6050 0.1231-0.0711 ( 903 PWs) bands (ev): - - -28.5010 -28.5010 -28.4902 -28.4902 -27.0359 -27.0359 -27.0248 -27.0248 - -27.0212 -27.0212 -16.0949 -16.0949 -16.0825 -16.0822 -15.5124 -15.5123 - -15.4996 -15.4992 -15.4933 -15.4932 -2.4273 -2.4263 0.4359 0.4449 - 6.3001 6.4661 7.3234 7.3959 8.3389 8.4783 10.4187 10.4333 - 10.6613 10.6701 11.9485 12.0425 16.5975 16.6260 18.0469 18.0627 - 18.6910 18.6934 20.1609 20.1751 21.0036 21.0100 21.7227 21.7596 - - k =-0.6050 0.1308-0.0755 ( 901 PWs) bands (ev): - - -28.5003 -28.5003 -28.4900 -28.4900 -27.0352 -27.0352 -27.0244 -27.0243 - -27.0210 -27.0209 -16.0932 -16.0932 -16.0821 -16.0818 -15.5110 -15.5109 - -15.4978 -15.4974 -15.4931 -15.4930 -2.4154 -2.4143 0.4491 0.4587 - 6.1958 6.3578 7.2769 7.3468 8.2784 8.4106 10.4837 10.4992 - 10.7472 10.7593 12.0842 12.1783 16.5099 16.5374 17.9880 18.0011 - 18.6530 18.6556 20.2366 20.2495 21.1002 21.1063 21.8490 21.8868 - - k =-0.6050 0.1385-0.0799 ( 904 PWs) bands (ev): - - -28.5011 -28.5011 -28.4906 -28.4906 -27.0359 -27.0359 -27.0256 -27.0256 - -27.0212 -27.0212 -16.0952 -16.0952 -16.0834 -16.0831 -15.5124 -15.5123 - -15.5012 -15.5008 -15.4934 -15.4932 -2.4028 -2.4018 0.4629 0.4732 - 6.0913 6.2493 7.2307 7.2980 8.2179 8.3436 10.5501 10.5661 - 10.8337 10.8486 12.2214 12.3151 16.4209 16.4472 17.9331 17.9436 - 18.6171 18.6200 20.3124 20.3239 21.1983 21.2041 21.9720 22.0109 - - k =-0.6050 0.1461-0.0844 ( 904 PWs) bands (ev): - - -28.5011 -28.5011 -28.4907 -28.4906 -27.0359 -27.0359 -27.0257 -27.0256 - -27.0212 -27.0212 -16.0952 -16.0952 -16.0834 -16.0832 -15.5124 -15.5123 - -15.5013 -15.5009 -15.4934 -15.4932 -2.3897 -2.3886 0.4773 0.4884 - 5.9869 6.1411 7.1847 7.2496 8.1577 8.2773 10.6176 10.6338 - 10.9205 10.9377 12.3597 12.4529 16.3310 16.3559 17.8823 17.8900 - 18.5835 18.5865 20.3881 20.3981 21.2979 21.3035 22.0908 22.1310 - - k =-0.6050 0.1538-0.0888 ( 904 PWs) bands (ev): - - -28.5011 -28.5011 -28.4907 -28.4906 -27.0359 -27.0359 -27.0257 -27.0257 - -27.0212 -27.0212 -16.0952 -16.0952 -16.0835 -16.0832 -15.5124 -15.5122 - -15.5014 -15.5010 -15.4934 -15.4932 -2.3760 -2.3749 0.4924 0.5042 - 5.8829 6.0336 7.1391 7.2016 8.0977 8.2119 10.6861 10.7023 - 11.0074 11.0264 12.4989 12.5912 16.2403 16.2638 17.8355 17.8405 - 18.5522 18.5554 20.4628 20.4713 21.3990 21.4044 22.2043 22.2457 - - k =-0.6050 0.1615-0.0933 ( 902 PWs) bands (ev): - - -28.5005 -28.5005 -28.4904 -28.4903 -27.0352 -27.0352 -27.0252 -27.0251 - -27.0210 -27.0210 -16.0936 -16.0936 -16.0829 -16.0826 -15.5108 -15.5107 - -15.5002 -15.4997 -15.4929 -15.4928 -2.3618 -2.3607 0.5080 0.5206 - 5.7795 5.9268 7.0937 7.1540 8.0382 8.1474 10.7555 10.7715 - 11.0941 11.1145 12.6386 12.7299 16.1492 16.1713 17.7926 17.7948 - 18.5233 18.5266 20.5362 20.5429 21.5016 21.5067 22.3108 22.3533 - - k =-0.6050 0.1692-0.0977 ( 902 PWs) bands (ev): - - -28.5003 -28.5002 -28.4907 -28.4906 -27.0346 -27.0346 -27.0261 -27.0260 - -27.0208 -27.0208 -16.0933 -16.0933 -16.0833 -16.0830 -15.5094 -15.5094 - -15.5021 -15.5015 -15.4926 -15.4924 -2.3471 -2.3459 0.5242 0.5376 - 5.6771 5.8212 7.0486 7.1070 7.9793 8.0839 10.8255 10.8413 - 11.1805 11.2018 12.7788 12.8688 16.0580 16.0786 17.7531 17.7535 - 18.4968 18.5002 20.6074 20.6123 21.6056 21.6104 22.4082 22.4516 - - k =-0.6050 0.1769-0.1021 ( 902 PWs) bands (ev): - - -28.5003 -28.5003 -28.4907 -28.4906 -27.0345 -27.0345 -27.0261 -27.0260 - -27.0208 -27.0208 -16.0933 -16.0933 -16.0833 -16.0830 -15.5094 -15.5093 - -15.5022 -15.5016 -15.4926 -15.4924 -2.3318 -2.3307 0.5409 0.5551 - 5.5756 5.7168 7.0040 7.0604 7.9210 8.0213 10.8960 10.9115 - 11.2662 11.2881 12.9189 13.0074 15.9669 15.9860 17.7152 17.7182 - 18.4728 18.4763 20.6757 20.6787 21.7110 21.7155 22.4943 22.5377 - - k =-0.6050 0.1846-0.1066 ( 902 PWs) bands (ev): - - -28.5002 -28.5002 -28.4907 -28.4906 -27.0345 -27.0345 -27.0262 -27.0261 - -27.0208 -27.0208 -16.0933 -16.0932 -16.0833 -16.0830 -15.5093 -15.5093 - -15.5022 -15.5017 -15.4925 -15.4924 -2.3161 -2.3150 0.5580 0.5731 - 5.4755 5.6139 6.9598 7.0145 7.8634 7.9597 10.9669 10.9820 - 11.3511 11.3732 13.0589 13.1457 15.8762 15.8938 17.6811 17.6866 - 18.4514 18.4550 20.7402 20.7412 21.8178 21.8219 22.5665 22.6082 - - k =-0.6050 0.1923-0.1110 ( 902 PWs) bands (ev): - - -28.4999 -28.4998 -28.4911 -28.4910 -27.0340 -27.0340 -27.0265 -27.0264 - -27.0210 -27.0210 -16.0922 -16.0922 -16.0844 -16.0841 -15.5090 -15.5089 - -15.5018 -15.5013 -15.4932 -15.4931 -2.3000 -2.2989 0.5756 0.5916 - 5.3768 5.5127 6.9161 6.9692 7.8066 7.8991 11.0380 11.0527 - 11.4351 11.4572 13.1985 13.2833 15.7862 15.8022 17.6509 17.6589 - 18.4326 18.4362 20.7989 20.7999 21.9258 21.9296 22.6231 22.6611 - - k =-0.6050 0.2000-0.1155 ( 898 PWs) bands (ev): - - -28.4985 -28.4985 -28.4906 -28.4905 -27.0324 -27.0324 -27.0260 -27.0260 - -27.0203 -27.0203 -16.0892 -16.0891 -16.0832 -16.0829 -15.5051 -15.5050 - -15.5010 -15.5006 -15.4915 -15.4913 -2.2835 -2.2824 0.5936 0.6105 - 5.2797 5.4133 6.8729 6.9245 7.7505 7.8396 11.1092 11.1235 - 11.5179 11.5397 13.3373 13.4200 15.6971 15.7115 17.6246 17.6348 - 18.4165 18.4202 20.8507 20.8538 22.0352 22.0385 22.6649 22.6967 - - k =-0.6050 0.2077-0.1199 ( 898 PWs) bands (ev): - - -28.4986 -28.4985 -28.4906 -28.4905 -27.0324 -27.0324 -27.0261 -27.0260 - -27.0203 -27.0203 -16.0892 -16.0892 -16.0832 -16.0829 -15.5051 -15.5050 - -15.5011 -15.5007 -15.4915 -15.4913 -2.2666 -2.2655 0.6119 0.6297 - 5.1843 5.3158 6.8303 6.8806 7.6952 7.7810 11.1804 11.1942 - 11.5993 11.6206 13.4751 13.5554 15.6091 15.6218 17.6020 17.6144 - 18.4031 18.4069 20.8958 20.9009 22.1456 22.1484 22.6952 22.7195 - - k =-0.6050 0.2154-0.1243 ( 900 PWs) bands (ev): - - -28.4992 -28.4992 -28.4910 -28.4909 -27.0331 -27.0331 -27.0264 -27.0264 - -27.0208 -27.0208 -16.0906 -16.0905 -16.0840 -16.0837 -15.5069 -15.5068 - -15.5014 -15.5011 -15.4926 -15.4925 -2.2494 -2.2484 0.6305 0.6492 - 5.0910 5.2205 6.7883 6.8373 7.6408 7.7236 11.2514 11.2648 - 11.6792 11.6997 13.6117 13.6893 15.5224 15.5334 17.5833 17.5976 - 18.3925 18.3964 20.9333 20.9404 22.2571 22.2592 22.7193 22.7360 - - k =-0.6050 0.2231-0.1288 ( 899 PWs) bands (ev): - - -28.4990 -28.4990 -28.4907 -28.4906 -27.0330 -27.0330 -27.0260 -27.0259 - -27.0207 -27.0207 -16.0902 -16.0901 -16.0834 -16.0831 -15.5066 -15.5064 - -15.5004 -15.5000 -15.4925 -15.4924 -2.2319 -2.2309 0.6493 0.6690 - 4.9997 5.1274 6.7470 6.7948 7.5872 7.6671 11.3221 11.3350 - 11.7573 11.7770 13.7468 13.8212 15.4374 15.4465 17.5683 17.5845 - 18.3849 18.3888 20.9626 20.9714 22.3696 22.3706 22.7427 22.7526 - - k =-0.6050 0.2308-0.1332 ( 899 PWs) bands (ev): - - -28.4990 -28.4990 -28.4907 -28.4906 -27.0330 -27.0330 -27.0260 -27.0260 - -27.0207 -27.0207 -16.0902 -16.0901 -16.0834 -16.0831 -15.5066 -15.5064 - -15.5004 -15.5001 -15.4924 -15.4924 -2.2143 -2.2133 0.6683 0.6890 - 4.9107 5.0368 6.7064 6.7531 7.5345 7.6117 11.3924 11.4049 - 11.8335 11.8522 13.8800 13.9510 15.3542 15.3613 17.5572 17.5750 - 18.3802 18.3841 20.9835 20.9938 22.4822 22.4825 22.7700 22.7743 - - k =-0.6050 0.2384-0.1377 ( 899 PWs) bands (ev): - - -28.4990 -28.4990 -28.4907 -28.4906 -27.0329 -27.0329 -27.0261 -27.0260 - -27.0207 -27.0206 -16.0901 -16.0901 -16.0835 -16.0831 -15.5066 -15.5064 - -15.5005 -15.5002 -15.4924 -15.4923 -2.1964 -2.1955 0.6874 0.7092 - 4.8241 4.9487 6.6664 6.7122 7.4828 7.5574 11.4622 11.4742 - 11.9075 11.9251 14.0111 14.0781 15.2733 15.2779 17.5498 17.5691 - 18.3785 18.3825 20.9963 21.0076 22.5932 22.5956 22.8045 22.8047 - - k =-0.6050 0.2461-0.1421 ( 899 PWs) bands (ev): - - -28.4990 -28.4990 -28.4907 -28.4906 -27.0329 -27.0329 -27.0261 -27.0260 - -27.0206 -27.0206 -16.0901 -16.0900 -16.0835 -16.0831 -15.5065 -15.5063 - -15.5005 -15.5002 -15.4923 -15.4923 -2.1784 -2.1776 0.7066 0.7294 - 4.7401 4.8633 6.6273 6.6721 7.4319 7.5041 11.5313 11.5427 - 11.9792 11.9956 14.1397 14.2019 15.1949 15.1967 17.5461 17.5666 - 18.3799 18.3839 21.0017 21.0136 22.7014 22.7074 22.8464 22.8484 - - k =-0.6050 0.2538-0.1465 ( 900 PWs) bands (ev): - - -28.4992 -28.4992 -28.4910 -28.4909 -27.0330 -27.0330 -27.0266 -27.0265 - -27.0207 -27.0206 -16.0906 -16.0905 -16.0840 -16.0837 -15.5067 -15.5066 - -15.5018 -15.5015 -15.4923 -15.4922 -2.1604 -2.1596 0.7257 0.7496 - 4.6589 4.7808 6.5888 6.6328 7.3820 7.4518 11.5995 11.6105 - 12.0483 12.0633 14.2657 14.3220 15.1178 15.1198 17.5460 17.5675 - 18.3844 18.3885 21.0008 21.0128 22.8026 22.8149 22.9030 22.9043 - - k =-0.6050 0.2615-0.1510 ( 904 PWs) bands (ev): - - -28.5000 -28.5000 -28.4920 -28.4919 -27.0336 -27.0336 -27.0277 -27.0277 - -27.0218 -27.0217 -16.0924 -16.0924 -16.0865 -16.0861 -15.5077 -15.5076 - -15.5045 -15.5043 -15.4952 -15.4951 -2.1423 -2.1416 0.7448 0.7697 - 4.5805 4.7013 6.5512 6.5945 7.3330 7.4006 11.6668 11.6773 - 12.1146 12.1283 14.3884 14.4369 15.0415 15.0489 17.5495 17.5717 - 18.3922 18.3962 20.9949 21.0066 22.8904 22.9110 22.9759 22.9765 - - k =-0.6050 0.2692-0.1554 ( 906 PWs) bands (ev): - - -28.5006 -28.5005 -28.4923 -28.4922 -27.0341 -27.0341 -27.0283 -27.0283 - -27.0219 -27.0219 -16.0939 -16.0938 -16.0871 -16.0868 -15.5093 -15.5090 - -15.5055 -15.5054 -15.4957 -15.4956 -2.1244 -2.1237 0.7637 0.7897 - 4.5052 4.6250 6.5145 6.5570 7.2849 7.3504 11.7329 11.7429 - 12.1780 12.1902 14.5075 14.5444 14.9684 14.9847 17.5564 17.5790 - 18.4032 18.4072 20.9856 20.9967 22.9655 22.9919 23.0548 23.0569 - - k =-0.6050 0.2769-0.1599 ( 908 PWs) bands (ev): - - -28.5013 -28.5012 -28.4925 -28.4924 -27.0349 -27.0348 -27.0286 -27.0286 - -27.0222 -27.0222 -16.0956 -16.0955 -16.0874 -16.0871 -15.5108 -15.5104 - -15.5065 -15.5064 -15.4964 -15.4964 -2.1065 -2.1060 0.7825 0.8095 - 4.4332 4.5519 6.4785 6.5204 7.2378 7.3013 11.7977 11.8073 - 12.2382 12.2490 14.6216 14.6376 14.8994 14.9336 17.5666 17.5894 - 18.4175 18.4216 20.9746 20.9846 23.0277 23.0574 23.1113 23.1171 - - k =-0.6050 0.2846-0.1643 ( 908 PWs) bands (ev): - - -28.5012 -28.5012 -28.4925 -28.4925 -27.0349 -27.0349 -27.0283 -27.0283 - -27.0224 -27.0223 -16.0956 -16.0954 -16.0874 -16.0872 -15.5112 -15.5108 - -15.5052 -15.5052 -15.4972 -15.4971 -2.0888 -2.0884 0.8010 0.8290 - 4.3645 4.4823 6.4435 6.4848 7.1917 7.2532 11.8611 11.8701 - 12.2950 12.3045 14.6959 14.7242 14.8412 14.9165 17.5799 17.6025 - 18.4352 18.4393 20.9634 20.9721 23.0439 23.0640 23.1624 23.1775 - - k =-0.6050 0.2923-0.1688 ( 906 PWs) bands (ev): - - -28.5005 -28.5005 -28.4923 -28.4922 -27.0341 -27.0341 -27.0281 -27.0281 - -27.0220 -27.0220 -16.0940 -16.0938 -16.0868 -16.0866 -15.5101 -15.5097 - -15.5038 -15.5038 -15.4963 -15.4962 -2.0715 -2.0711 0.8191 0.8482 - 4.2995 4.4164 6.4093 6.4501 7.1465 7.2061 11.9228 11.9313 - 12.3484 12.3565 14.6945 14.7441 14.8646 14.9577 17.5961 17.6183 - 18.4563 18.4604 20.9534 20.9606 23.0084 23.0202 23.2373 23.2600 - - k =-0.6050 0.3000-0.1732 ( 905 PWs) bands (ev): - - -28.5004 -28.5004 -28.4919 -28.4918 -27.0341 -27.0340 -27.0279 -27.0279 - -27.0215 -27.0215 -16.0939 -16.0937 -16.0858 -16.0856 -15.5101 -15.5097 - -15.5033 -15.5032 -15.4953 -15.4951 -2.0544 -2.0542 0.8369 0.8669 - 4.2381 4.3541 6.3760 6.4163 7.1024 7.1601 11.9825 11.9905 - 12.3983 12.4050 14.6573 14.6916 14.9594 15.0335 17.6150 17.6366 - 18.4809 18.4850 20.9460 20.9515 22.9535 22.9613 23.3219 23.3501 - - k =-0.6050 0.3077-0.1776 ( 905 PWs) bands (ev): - - -28.5004 -28.5004 -28.4919 -28.4918 -27.0340 -27.0340 -27.0279 -27.0279 - -27.0215 -27.0215 -16.0938 -16.0937 -16.0858 -16.0856 -15.5101 -15.5097 - -15.5032 -15.5032 -15.4952 -15.4951 -2.0378 -2.0377 0.8542 0.8852 - 4.1806 4.2958 6.3436 6.3835 7.0592 7.1151 12.0399 12.0474 - 12.4446 12.4501 14.6105 14.6357 15.0564 15.1175 17.6365 17.6571 - 18.5090 18.5131 20.9424 20.9461 22.8910 22.8965 23.4096 23.4441 - - k =-0.6050 0.3154-0.1821 ( 905 PWs) bands (ev): - - -28.5003 -28.5003 -28.4919 -28.4918 -27.0340 -27.0339 -27.0279 -27.0279 - -27.0215 -27.0215 -16.0937 -16.0936 -16.0859 -16.0856 -15.5101 -15.5097 - -15.5032 -15.5032 -15.4952 -15.4951 -2.0218 -2.0217 0.8711 0.9029 - 4.1271 4.2415 6.3122 6.3517 7.0169 7.0711 12.0948 12.1016 - 12.4874 12.4918 14.5626 14.5821 15.1496 15.2009 17.6603 17.6797 - 18.5407 18.5448 20.9436 20.9453 22.8245 22.8285 23.4961 23.5392 - - k =-0.6050 0.3231-0.1865 ( 904 PWs) bands (ev): - - -28.5000 -28.5000 -28.4917 -28.4917 -27.0336 -27.0336 -27.0277 -27.0276 - -27.0213 -27.0213 -16.0931 -16.0929 -16.0854 -16.0851 -15.5096 -15.5092 - -15.5023 -15.5023 -15.4948 -15.4946 -2.0064 -2.0063 0.8874 0.9201 - 4.0778 4.1913 6.2817 6.3208 6.9757 7.0282 12.1466 12.1528 - 12.5270 12.5304 14.5164 14.5319 15.2377 15.2808 17.6864 17.7043 - 18.5760 18.5800 20.9500 20.9505 22.7554 22.7583 23.5752 23.6304 - - k =-0.6050 0.3307-0.1910 ( 900 PWs) bands (ev): - - -28.4991 -28.4991 -28.4907 -28.4906 -27.0328 -27.0327 -27.0268 -27.0268 - -27.0201 -27.0201 -16.0914 -16.0912 -16.0827 -16.0825 -15.5082 -15.5078 - -15.4999 -15.4998 -15.4919 -15.4918 -1.9918 -1.9916 0.9032 0.9366 - 4.0329 4.1454 6.2522 6.2910 6.9355 6.9863 12.1949 12.2004 - 12.5638 12.5663 14.4731 14.4855 15.3201 15.3557 17.7146 17.7309 - 18.6148 18.6188 20.9609 20.9638 22.6844 22.6864 23.6367 23.6999 - - k =-0.6050 0.3384-0.1954 ( 900 PWs) bands (ev): - - -28.4990 -28.4990 -28.4907 -28.4906 -27.0327 -27.0326 -27.0268 -27.0268 - -27.0201 -27.0201 -16.0913 -16.0911 -16.0827 -16.0825 -15.5081 -15.5077 - -15.4998 -15.4997 -15.4919 -15.4917 -1.9779 -1.9776 0.9184 0.9525 - 3.9923 4.1039 6.2236 6.2621 6.8963 6.9454 12.2389 12.2437 - 12.5981 12.6000 14.4332 14.4430 15.3963 15.4250 17.7450 17.7596 - 18.6573 18.6613 20.9785 20.9838 22.6116 22.6129 23.6709 23.7228 - - k =-0.6050 0.3461-0.1998 ( 900 PWs) bands (ev): - - -28.4990 -28.4989 -28.4907 -28.4906 -27.0326 -27.0325 -27.0268 -27.0268 - -27.0201 -27.0201 -16.0911 -16.0909 -16.0827 -16.0825 -15.5081 -15.5077 - -15.4997 -15.4996 -15.4919 -15.4917 -1.9650 -1.9646 0.9331 0.9677 - 3.9563 4.0669 6.1960 6.2342 6.8581 6.9056 12.2779 12.2819 - 12.6308 12.6323 14.3969 14.4045 15.4658 15.4879 17.7776 17.7905 - 18.7034 18.7074 21.0030 21.0110 22.5372 22.5378 23.6801 23.7167 - - k =-0.6050 0.3538-0.2043 ( 902 PWs) bands (ev): - - -28.4995 -28.4995 -28.4910 -28.4910 -27.0332 -27.0332 -27.0273 -27.0272 - -27.0203 -27.0202 -16.0929 -16.0926 -16.0831 -16.0829 -15.5103 -15.5100 - -15.5000 -15.5000 -15.4923 -15.4921 -1.9531 -1.9526 0.9473 0.9823 - 3.9250 4.0344 6.1693 6.2074 6.8209 6.8668 12.3113 12.3144 - 12.6627 12.6638 14.3644 14.3700 15.5280 15.5440 17.8127 17.8239 - 18.7532 18.7571 21.0346 21.0453 22.4613 22.4613 23.6730 23.6996 - - k =-0.6050 0.3615-0.2087 ( 902 PWs) bands (ev): - - -28.4994 -28.4994 -28.4910 -28.4910 -27.0332 -27.0331 -27.0273 -27.0272 - -27.0202 -27.0202 -16.0927 -16.0925 -16.0830 -16.0829 -15.5103 -15.5099 - -15.4999 -15.4998 -15.4922 -15.4921 -1.9424 -1.9417 0.9609 0.9962 - 3.8983 4.0066 6.1437 6.1815 6.7847 6.8290 12.3382 12.3405 - 12.6944 12.6954 14.3357 14.3393 15.5826 15.5927 17.8505 17.8600 - 18.8065 18.8104 21.0729 21.0867 22.3833 22.3839 23.6561 23.6766 - - k =-0.6050 0.3692-0.2132 ( 900 PWs) bands (ev): - - -28.4987 -28.4986 -28.4907 -28.4907 -27.0325 -27.0324 -27.0268 -27.0267 - -27.0198 -27.0198 -16.0913 -16.0911 -16.0821 -16.0820 -15.5094 -15.5090 - -15.4982 -15.4982 -15.4912 -15.4911 -1.9328 -1.9320 0.9741 1.0096 - 3.8765 3.9833 6.1190 6.1567 6.7496 6.7923 12.3584 12.3598 - 12.7267 12.7278 14.3106 14.3124 15.6291 15.6338 17.8913 17.8994 - 18.8635 18.8673 21.1177 21.1347 22.3038 22.3050 23.6326 23.6493 - - k =-0.6050 0.3769-0.2176 ( 900 PWs) bands (ev): - - -28.4986 -28.4986 -28.4907 -28.4907 -27.0324 -27.0323 -27.0268 -27.0267 - -27.0198 -27.0198 -16.0912 -16.0910 -16.0821 -16.0819 -15.5093 -15.5090 - -15.4981 -15.4980 -15.4912 -15.4910 -1.9245 -1.9236 0.9870 1.0224 - 3.8594 3.9648 6.0954 6.1328 6.7155 6.7566 12.3715 12.3721 - 12.7600 12.7611 14.2890 14.2891 15.6669 15.6672 17.9355 17.9424 - 18.9239 18.9277 21.1683 21.1887 22.2228 22.2246 23.6042 23.6183 - - k =-0.6050 0.3846-0.2220 ( 900 PWs) bands (ev): - - -28.4988 -28.4988 -28.4904 -28.4903 -27.0326 -27.0326 -27.0265 -27.0264 - -27.0196 -27.0196 -16.0912 -16.0910 -16.0818 -16.0817 -15.5088 -15.5085 - -15.4986 -15.4986 -15.4909 -15.4908 -1.9177 -1.9167 0.9995 1.0349 - 3.8471 3.9509 6.0727 6.1100 6.6824 6.7220 12.3778 12.3779 - 12.7944 12.7955 14.2692 14.2706 15.6916 15.6965 17.9835 17.9894 - 18.9879 18.9916 21.2236 21.2478 22.1403 22.1429 23.5717 23.5840 - - k =-0.6050 0.3923-0.2265 ( 900 PWs) bands (ev): - - -28.4987 -28.4987 -28.4904 -28.4903 -27.0325 -27.0325 -27.0265 -27.0264 - -27.0196 -27.0196 -16.0911 -16.0909 -16.0818 -16.0816 -15.5087 -15.5084 - -15.4985 -15.4985 -15.4909 -15.4907 -1.9123 -1.9112 1.0118 1.0470 - 3.8397 3.9417 6.0511 6.0882 6.6504 6.6884 12.3775 12.3781 - 12.8297 12.8308 14.2524 14.2552 15.7080 15.7169 18.0356 18.0409 - 19.0554 19.0590 21.2824 21.3108 22.0563 22.0598 23.5359 23.5466 - - k =-0.6050 0.4000-0.2309 ( 902 PWs) bands (ev): - - -28.4988 -28.4988 -28.4911 -28.4911 -27.0327 -27.0326 -27.0267 -27.0267 - -27.0205 -27.0204 -16.0920 -16.0918 -16.0829 -16.0828 -15.5099 -15.5096 - -15.4985 -15.4985 -15.4927 -15.4926 -1.9086 -1.9074 1.0241 1.0588 - 3.8369 3.9371 6.0304 6.0674 6.6195 6.6558 12.3717 12.3728 - 12.8656 12.8667 14.2384 14.2425 15.7159 15.7283 18.0920 18.0970 - 19.1262 19.1297 21.3431 21.3762 21.9709 21.9756 23.4975 23.5066 - - k =-0.6050 0.4077-0.2354 ( 902 PWs) bands (ev): - - -28.4991 -28.4991 -28.4907 -28.4907 -27.0330 -27.0330 -27.0266 -27.0266 - -27.0201 -27.0201 -16.0921 -16.0919 -16.0827 -16.0825 -15.5097 -15.5095 - -15.4990 -15.4990 -15.4922 -15.4920 -1.9065 -1.9052 1.0365 1.0707 - 3.8389 3.9370 6.0108 6.0477 6.5896 6.6244 12.3612 12.3628 - 12.9019 12.9029 14.2269 14.2323 15.7155 15.7308 18.1528 18.1580 - 19.2002 19.2036 21.4035 21.4421 21.8842 21.8907 23.4572 23.4644 - - k =-0.6050 0.4154-0.2398 ( 896 PWs) bands (ev): - - -28.4973 -28.4973 -28.4896 -28.4896 -27.0315 -27.0314 -27.0251 -27.0251 - -27.0188 -27.0188 -16.0879 -16.0878 -16.0802 -16.0800 -15.5062 -15.5060 - -15.4959 -15.4959 -15.4885 -15.4883 -1.9062 -1.9048 1.0490 1.0826 - 3.8455 3.9413 5.9922 6.0289 6.5609 6.5940 12.3469 12.3487 - 12.9382 12.9391 14.2177 14.2242 15.7069 15.7246 18.2182 18.2239 - 19.2773 19.2807 21.4606 21.5060 21.7966 21.8059 23.4162 23.4210 - - k =-0.6050 0.4230-0.2442 ( 898 PWs) bands (ev): - - -28.4979 -28.4979 -28.4899 -28.4898 -27.0320 -27.0319 -27.0255 -27.0255 - -27.0192 -27.0192 -16.0892 -16.0891 -16.0809 -16.0807 -15.5070 -15.5068 - -15.4972 -15.4972 -15.4897 -15.4896 -1.9077 -1.9062 1.0619 1.0947 - 3.8565 3.9500 5.9747 6.0112 6.5332 6.5647 12.3293 12.3313 - 12.9741 12.9749 14.2105 14.2180 15.6905 15.7101 18.2880 18.2946 - 19.3574 19.3606 21.5089 21.5642 21.7092 21.7241 23.3758 23.3773 - - k =-0.6050 0.4307-0.2487 ( 896 PWs) bands (ev): - - -28.4972 -28.4971 -28.4896 -28.4896 -27.0311 -27.0310 -27.0253 -27.0253 - -27.0188 -27.0187 -16.0877 -16.0876 -16.0802 -16.0800 -15.5053 -15.5051 - -15.4968 -15.4968 -15.4884 -15.4883 -1.9111 -1.9096 1.0753 1.1072 - 3.8720 3.9629 5.9581 5.9944 6.5067 6.5365 12.3091 12.3112 - 13.0097 13.0103 14.2050 14.2134 15.6667 15.6877 18.3621 18.3698 - 19.4401 19.4432 21.5327 21.5942 21.6416 21.6583 23.3349 23.3377 - - k =-0.6050 0.4384-0.2531 ( 898 PWs) bands (ev): - - -28.4978 -28.4977 -28.4899 -28.4899 -27.0316 -27.0316 -27.0260 -27.0259 - -27.0189 -27.0189 -16.0888 -16.0887 -16.0812 -16.0810 -15.5061 -15.5060 - -15.4987 -15.4987 -15.4887 -15.4886 -1.9165 -1.9148 1.0894 1.1202 - 3.8916 3.9799 5.9426 5.9786 6.4812 6.5094 12.2868 12.2891 - 13.0445 13.0449 14.2010 14.2101 15.6358 15.6579 18.4402 18.4492 - 19.5251 19.5280 21.4954 21.5200 21.6422 21.6668 23.2952 23.3034 - - k =-0.6050 0.4461-0.2576 ( 898 PWs) bands (ev): - - -28.4978 -28.4978 -28.4899 -28.4898 -27.0316 -27.0316 -27.0260 -27.0259 - -27.0189 -27.0189 -16.0886 -16.0886 -16.0814 -16.0811 -15.5053 -15.5052 - -15.4997 -15.4996 -15.4886 -15.4884 -1.9238 -1.9221 1.1042 1.1340 - 3.9155 4.0008 5.9282 5.9639 6.4570 6.4834 12.2630 12.2653 - 13.0786 13.0788 14.1983 14.2080 15.5984 15.6212 18.5218 18.5325 - 19.6121 19.6148 21.4184 21.4306 21.6516 21.6929 23.2592 23.2739 - - k =-0.6050 0.4538-0.2620 ( 897 PWs) bands (ev): - - -28.4976 -28.4975 -28.4897 -28.4896 -27.0315 -27.0314 -27.0256 -27.0255 - -27.0188 -27.0188 -16.0880 -16.0880 -16.0809 -16.0807 -15.5050 -15.5049 - -15.4987 -15.4986 -15.4882 -15.4881 -1.9331 -1.9313 1.1200 1.1486 - 3.9432 4.0256 5.9148 5.9501 6.4339 6.4585 12.2380 12.2404 - 13.1117 13.1118 14.1966 14.2069 15.5550 15.5782 18.6065 18.6190 - 19.7004 19.7028 21.3328 21.3406 21.6536 21.7030 23.2269 23.2491 - - k =-0.6050 0.4615-0.2664 ( 897 PWs) bands (ev): - - -28.4976 -28.4975 -28.4897 -28.4897 -27.0314 -27.0314 -27.0256 -27.0256 - -27.0188 -27.0188 -16.0880 -16.0880 -16.0810 -16.0807 -15.5050 -15.5050 - -15.4988 -15.4986 -15.4882 -15.4881 -1.9443 -1.9426 1.1368 1.1641 - 3.9748 4.0540 5.9024 5.9372 6.4120 6.4349 12.2123 12.2146 - 13.1438 13.1440 14.1959 14.2066 15.5062 15.5295 18.6939 18.7083 - 19.7890 19.7911 21.2460 21.2517 21.6402 21.6946 23.1969 23.2271 - - k =-0.6050 0.4692-0.2709 ( 899 PWs) bands (ev): - - -28.4981 -28.4981 -28.4901 -28.4901 -27.0321 -27.0321 -27.0260 -27.0259 - -27.0193 -27.0193 -16.0890 -16.0890 -16.0822 -16.0819 -15.5064 -15.5064 - -15.4993 -15.4992 -15.4896 -15.4895 -1.9576 -1.9558 1.1547 1.1807 - 4.0100 4.0858 5.8911 5.9254 6.3912 6.4124 12.1861 12.1885 - 13.1749 13.1752 14.1960 14.2070 15.4523 15.4756 18.7832 18.7996 - 19.8766 19.8782 21.1610 21.1656 21.6097 21.6671 23.1662 23.2046 - - k =-0.6050 0.4769-0.2753 ( 895 PWs) bands (ev): - - -28.4972 -28.4971 -28.4893 -28.4893 -27.0310 -27.0310 -27.0251 -27.0250 - -27.0185 -27.0185 -16.0867 -16.0867 -16.0801 -16.0800 -15.5041 -15.5041 - -15.4968 -15.4967 -15.4879 -15.4878 -1.9728 -1.9710 1.1740 1.1986 - 4.0488 4.1210 5.8809 5.9144 6.3718 6.3911 12.1598 12.1622 - 13.2049 13.2054 14.1966 14.2079 15.3939 15.4169 18.8739 18.8925 - 19.9610 19.9619 21.0806 21.0848 21.5626 21.6216 23.1310 23.1775 - - k =-0.6050 0.4846-0.2798 ( 895 PWs) bands (ev): - - -28.4972 -28.4971 -28.4893 -28.4893 -27.0310 -27.0310 -27.0251 -27.0251 - -27.0186 -27.0186 -16.0867 -16.0867 -16.0802 -16.0800 -15.5042 -15.5042 - -15.4968 -15.4967 -15.4880 -15.4879 -1.9900 -1.9881 1.1945 1.2177 - 4.0909 4.1592 5.8717 5.9044 6.3535 6.3711 12.1336 12.1360 - 13.2339 13.2346 14.1978 14.2093 15.3315 15.3541 18.9652 18.9859 - 20.0384 20.0384 21.0087 21.0130 21.5008 21.5602 23.0866 23.1432 - - k =-0.6050 0.4923-0.2842 ( 895 PWs) bands (ev): - - -28.4972 -28.4971 -28.4894 -28.4893 -27.0310 -27.0310 -27.0252 -27.0251 - -27.0186 -27.0186 -16.0867 -16.0866 -16.0802 -16.0801 -15.5042 -15.5042 - -15.4968 -15.4967 -15.4880 -15.4879 -2.0091 -2.0071 1.2164 1.2381 - 4.1362 4.2005 5.8637 5.8954 6.3366 6.3523 12.1077 12.1101 - 13.2618 13.2626 14.1995 14.2110 15.2654 15.2874 19.0562 19.0792 - 20.1018 20.1030 20.9512 20.9561 21.4268 21.4856 23.0169 23.0468 - - k =-0.6050 0.5000-0.2887 ( 893 PWs) bands (ev): - - -28.4967 -28.4967 -28.4889 -28.4889 -27.0303 -27.0303 -27.0248 -27.0248 - -27.0182 -27.0182 -16.0859 -16.0859 -16.0788 -16.0787 -15.5024 -15.5024 - -15.4962 -15.4961 -15.4872 -15.4870 -2.0300 -2.0280 1.2398 1.2600 - 4.1845 4.2445 5.8568 5.8872 6.3209 6.3348 12.0824 12.0848 - 13.2886 13.2896 14.2014 14.2129 15.1960 15.2174 19.1460 19.1712 - 20.1439 20.1466 20.9165 20.9225 21.3429 21.4006 22.8952 22.8992 - - k =-0.6050 0.5077-0.2931 ( 891 PWs) bands (ev): - - -28.4966 -28.4966 -28.4881 -28.4881 -27.0303 -27.0303 -27.0246 -27.0245 - -27.0172 -27.0172 -16.0855 -16.0855 -16.0771 -16.0770 -15.5018 -15.5017 - -15.4958 -15.4957 -15.4850 -15.4849 -2.0526 -2.0506 1.2646 1.2833 - 4.2357 4.2912 5.8510 5.8799 6.3066 6.3187 12.0578 12.0601 - 13.3144 13.3155 14.2036 14.2150 15.1237 15.1444 19.2335 19.2610 - 20.1564 20.1605 20.9134 20.9205 21.2517 21.3078 22.7526 22.7548 - - k =-0.6050 0.5153-0.2975 ( 891 PWs) bands (ev): - - -28.4966 -28.4966 -28.4882 -28.4881 -27.0303 -27.0303 -27.0246 -27.0246 - -27.0173 -27.0173 -16.0855 -16.0855 -16.0771 -16.0771 -15.5018 -15.5017 - -15.4959 -15.4958 -15.4851 -15.4850 -2.0769 -2.0749 1.2909 1.3081 - 4.2897 4.3403 5.8465 5.8734 6.2937 6.3039 12.0341 12.0364 - 13.3391 13.3402 14.2058 14.2171 15.0489 15.0688 19.3174 19.3470 - 20.1364 20.1416 20.9448 20.9531 21.1555 21.2094 22.6070 22.6118 - - k =-0.6050 0.5230-0.3020 ( 895 PWs) bands (ev): - - -28.4974 -28.4974 -28.4893 -28.4893 -27.0310 -27.0310 -27.0255 -27.0255 - -27.0186 -27.0186 -16.0872 -16.0871 -16.0799 -16.0799 -15.5032 -15.5031 - -15.4983 -15.4982 -15.4880 -15.4879 -2.1028 -2.1008 1.3187 1.3343 - 4.3464 4.3917 5.8431 5.8679 6.2821 6.2905 12.0114 12.0136 - 13.3627 13.3639 14.2081 14.2192 14.9719 14.9909 19.3959 19.4276 - 20.0887 20.0944 21.0038 21.0149 21.0584 21.1081 22.4628 22.4689 - - k =-0.6050 0.5307-0.3064 ( 893 PWs) bands (ev): - - -28.4967 -28.4967 -28.4891 -28.4891 -27.0303 -27.0303 -27.0252 -27.0252 - -27.0182 -27.0182 -16.0858 -16.0857 -16.0792 -16.0792 -15.5023 -15.5022 - -15.4972 -15.4970 -15.4869 -15.4868 -2.1302 -2.1282 1.3479 1.3619 - 4.4055 4.4451 5.8411 5.8631 6.2720 6.2786 11.9898 11.9920 - 13.3853 13.3864 14.2103 14.2211 14.8931 14.9111 19.4672 19.5009 - 20.0218 20.0277 20.9519 21.0022 21.0926 21.1010 22.3202 22.3271 - - k =-0.6050 0.5384-0.3109 ( 893 PWs) bands (ev): - - -28.4967 -28.4967 -28.4891 -28.4891 -27.0303 -27.0303 -27.0253 -27.0253 - -27.0182 -27.0182 -16.0858 -16.0858 -16.0793 -16.0793 -15.5023 -15.5022 - -15.4972 -15.4971 -15.4869 -15.4869 -2.1590 -2.1570 1.3786 1.3910 - 4.4670 4.5004 5.8404 5.8592 6.2633 6.2682 11.9694 11.9716 - 13.4066 13.4077 14.2121 14.2226 14.8128 14.8298 19.5286 19.5639 - 19.9432 19.9491 20.8515 20.8989 21.1893 21.1984 22.1801 22.1871 - - k =-0.6050 0.5461-0.3153 ( 895 PWs) bands (ev): - - -28.4973 -28.4973 -28.4896 -28.4896 -27.0307 -27.0307 -27.0260 -27.0260 - -27.0187 -27.0187 -16.0872 -16.0872 -16.0801 -16.0801 -15.5036 -15.5034 - -15.4982 -15.4981 -15.4882 -15.4881 -2.1891 -2.1871 1.4106 1.4215 - 4.5307 4.5574 5.8412 5.8561 6.2562 6.2593 11.9504 11.9525 - 13.4269 13.4279 14.2134 14.2234 14.7315 14.7474 19.5760 19.6124 - 19.8597 19.8654 20.7525 20.7966 21.2940 21.3042 22.0440 22.0506 - - k =-0.6050 0.5538-0.3197 ( 901 PWs) bands (ev): - - -28.4989 -28.4989 -28.4909 -28.4909 -27.0326 -27.0326 -27.0269 -27.0268 - -27.0202 -27.0202 -16.0909 -16.0909 -16.0831 -16.0830 -15.5080 -15.5078 - -15.4999 -15.4998 -15.4920 -15.4919 -2.2204 -2.2184 1.4439 1.4532 - 4.5966 4.6158 5.8434 5.8537 6.2506 6.2520 11.9328 11.9348 - 13.4459 13.4467 14.2135 14.2230 14.6500 14.6646 19.6007 19.6359 - 19.7804 19.7872 20.6573 20.6973 21.3984 21.4109 21.9169 21.9218 - - k =-0.6050 0.5615-0.3242 ( 901 PWs) bands (ev): - - -28.4989 -28.4989 -28.4909 -28.4909 -27.0326 -27.0326 -27.0269 -27.0269 - -27.0203 -27.0203 -16.0910 -16.0909 -16.0831 -16.0831 -15.5080 -15.5079 - -15.5000 -15.4999 -15.4921 -15.4921 -2.2528 -2.2507 1.4785 1.4863 - 4.6645 4.6754 5.8474 5.8522 6.2464 6.2465 11.9166 11.9185 - 13.4638 13.4643 14.2118 14.2205 14.5693 14.5824 19.5818 19.6083 - 19.7257 19.7399 20.5679 20.6027 21.4820 21.4995 21.8174 21.8178 - - k =-0.6050 0.5692-0.3286 ( 901 PWs) bands (ev): - - -28.4990 -28.4990 -28.4910 -28.4910 -27.0327 -27.0327 -27.0269 -27.0269 - -27.0204 -27.0204 -16.0910 -16.0910 -16.0832 -16.0831 -15.5081 -15.5079 - -15.5000 -15.4999 -15.4922 -15.4921 -2.2862 -2.2841 1.5143 1.5205 - 4.7342 4.7360 5.8514 5.8531 6.2424 6.2442 11.9020 11.9039 - 13.4802 13.4804 14.2064 14.2140 14.4915 14.5027 19.5126 19.5307 - 19.7012 19.7208 20.4858 20.5141 21.4853 21.5071 21.8003 21.8039 - - k =-0.6050 0.5769-0.3331 ( 901 PWs) bands (ev): - - -28.4990 -28.4990 -28.4910 -28.4910 -27.0327 -27.0327 -27.0269 -27.0269 - -27.0204 -27.0204 -16.0911 -16.0910 -16.0832 -16.0832 -15.5081 -15.5079 - -15.5000 -15.4999 -15.4922 -15.4922 -2.3205 -2.3184 1.5513 1.5559 - 4.7973 4.8057 5.8515 5.8607 6.2403 6.2435 11.8890 11.8908 - 13.4949 13.4952 14.1939 14.1996 14.4209 14.4292 19.4217 19.4366 - 19.6777 19.6960 20.4117 20.4324 21.3963 21.4162 21.8860 21.8875 - - k =-0.6050 0.5846-0.3375 ( 905 PWs) bands (ev): - - -28.5002 -28.5001 -28.4918 -28.4918 -27.0337 -27.0337 -27.0282 -27.0282 - -27.0211 -27.0211 -16.0934 -16.0934 -16.0852 -16.0852 -15.5095 -15.5093 - -15.5036 -15.5034 -15.4940 -15.4940 -2.3555 -2.3534 1.5893 1.5923 - 4.8589 4.8789 5.8523 5.8704 6.2399 6.2446 11.8776 11.8793 - 13.5075 13.5085 14.1674 14.1699 14.3648 14.3690 19.3241 19.3378 - 19.6407 19.6547 20.3448 20.3573 21.2752 21.2937 22.0073 22.0075 - - k =-0.6050 0.5923-0.3419 ( 903 PWs) bands (ev): - - -28.4996 -28.4996 -28.4915 -28.4915 -27.0333 -27.0332 -27.0277 -27.0276 - -27.0208 -27.0207 -16.0921 -16.0921 -16.0845 -16.0845 -15.5088 -15.5085 - -15.5023 -15.5022 -15.4929 -15.4928 -2.3913 -2.3891 1.6282 1.6297 - 4.9206 4.9535 5.8540 5.8825 6.2415 6.2476 11.8679 11.8695 - 13.5179 13.5198 14.1195 14.1201 14.3293 14.3295 19.2240 19.2372 - 19.5880 19.5967 20.2828 20.2871 21.1455 21.1633 22.1397 22.1408 - - k =-0.6050 0.6000-0.3464 ( 903 PWs) bands (ev): - - -28.5001 -28.5000 -28.4912 -28.4911 -27.0339 -27.0339 -27.0272 -27.0272 - -27.0208 -27.0208 -16.0932 -16.0931 -16.0837 -16.0836 -15.5093 -15.5091 - -15.5020 -15.5018 -15.4931 -15.4931 -2.4276 -2.4255 1.6680 1.6681 - 4.9819 5.0294 5.8564 5.8971 6.2450 6.2526 11.8600 11.8614 - 13.5253 13.5285 14.0525 14.0542 14.3084 14.3112 19.1232 19.1362 - 19.5213 19.5247 20.2196 20.2225 21.0130 21.0306 22.2781 22.2796 - - k =-0.6050 0.6076-0.3508 ( 901 PWs) bands (ev): - - -28.4995 -28.4995 -28.4910 -28.4909 -27.0333 -27.0333 -27.0269 -27.0269 - -27.0205 -27.0205 -16.0918 -16.0917 -16.0831 -16.0830 -15.5082 -15.5080 - -15.5010 -15.5009 -15.4921 -15.4921 -2.4644 -2.4623 1.7071 1.7087 - 5.0424 5.1064 5.8598 5.9145 6.2506 6.2598 11.8537 11.8551 - 13.5287 13.5337 13.9778 13.9786 14.2983 14.3023 19.0224 19.0355 - 19.4424 19.4434 20.1523 20.1611 20.8799 20.8973 22.4205 22.4221 - - k =-0.6050 0.6153-0.3553 ( 901 PWs) bands (ev): - - -28.4996 -28.4996 -28.4910 -28.4910 -27.0334 -27.0334 -27.0270 -27.0270 - -27.0206 -27.0206 -16.0920 -16.0919 -16.0832 -16.0830 -15.5084 -15.5081 - -15.5011 -15.5010 -15.4923 -15.4922 -2.5016 -2.4995 1.7469 1.7500 - 5.1016 5.1844 5.8642 5.9349 6.2584 6.2694 11.8493 11.8505 - 13.5261 13.5335 13.9008 13.9022 14.2935 14.2978 18.9222 18.9353 - 19.3528 19.3574 20.0833 20.0965 20.7468 20.7643 22.5656 22.5670 - - k =-0.6050 0.6230-0.3597 ( 903 PWs) bands (ev): - - -28.5002 -28.5002 -28.4915 -28.4915 -27.0340 -27.0339 -27.0275 -27.0275 - -27.0211 -27.0211 -16.0931 -16.0930 -16.0845 -16.0843 -15.5095 -15.5093 - -15.5021 -15.5020 -15.4937 -15.4937 -2.5391 -2.5370 1.7874 1.7920 - 5.1591 5.2630 5.8695 5.9583 6.2685 6.2816 11.8466 11.8476 - 13.5137 13.5244 13.8269 13.8318 14.2912 14.2954 18.8229 18.8362 - 19.2584 19.2657 20.0114 20.0278 20.6143 20.6319 22.7125 22.7135 - - k =-0.6050 0.6307-0.3641 ( 897 PWs) bands (ev): - - -28.4984 -28.4984 -28.4908 -28.4907 -27.0319 -27.0319 -27.0267 -27.0267 - -27.0202 -27.0201 -16.0889 -16.0888 -16.0825 -16.0823 -15.5057 -15.5054 - -15.4993 -15.4992 -15.4910 -15.4910 -2.5769 -2.5747 1.8284 1.8344 - 5.2145 5.3420 5.8761 5.9849 6.2811 6.2969 11.8458 11.8466 - 13.4863 13.5006 13.7642 13.7729 14.2901 14.2940 18.7249 18.7384 - 19.1611 19.1705 19.9360 19.9547 20.4826 20.5004 22.8607 22.8610 - - k =-0.6050 0.6384-0.3686 ( 901 PWs) bands (ev): - - -28.4986 -28.4986 -28.4926 -28.4926 -27.0322 -27.0322 -27.0271 -27.0270 - -27.0227 -27.0227 -16.0900 -16.0898 -16.0861 -16.0858 -15.5067 -15.5064 - -15.5010 -15.5009 -15.4955 -15.4954 -2.6148 -2.6126 1.8698 1.8773 - 5.2673 5.4209 5.8839 6.0144 6.2964 6.3157 11.8467 11.8474 - 13.4392 13.4555 13.7197 13.7308 14.2895 14.2930 18.6283 18.6421 - 19.0620 19.0730 19.8571 19.8773 20.3519 20.3699 23.0085 23.0095 - - k =-0.6050 0.6461-0.3730 ( 898 PWs) bands (ev): - - -28.4982 -28.4982 -28.4918 -28.4918 -27.0317 -27.0317 -27.0264 -27.0263 - -27.0221 -27.0221 -16.0896 -16.0894 -16.0836 -16.0833 -15.5057 -15.5055 - -15.4987 -15.4986 -15.4945 -15.4944 -2.6527 -2.6506 1.9116 1.9206 - 5.3173 5.4991 5.8934 6.0465 6.3147 6.3389 11.8494 11.8499 - 13.3734 13.3896 13.6934 13.7048 14.2889 14.2919 18.5334 18.5475 - 18.9623 18.9745 19.7751 19.7962 20.2223 20.2404 23.1547 23.1579 - - k =-0.6050 0.6538-0.3775 ( 900 PWs) bands (ev): - - -28.4988 -28.4988 -28.4924 -28.4924 -27.0323 -27.0322 -27.0271 -27.0271 - -27.0225 -27.0225 -16.0910 -16.0908 -16.0846 -16.0843 -15.5072 -15.5071 - -15.5001 -15.4999 -15.4952 -15.4950 -2.6907 -2.6886 1.9536 1.9640 - 5.3643 5.5759 5.9048 6.0803 6.3363 6.3671 11.8539 11.8542 - 13.2941 13.3090 13.6793 13.6897 14.2881 14.2906 18.4405 18.4548 - 18.8625 18.8755 19.6904 19.7120 20.0938 20.1122 23.2961 23.3045 - - k =-0.6050 0.6615-0.3819 ( 900 PWs) bands (ev): - - -28.4989 -28.4989 -28.4925 -28.4925 -27.0324 -27.0323 -27.0272 -27.0272 - -27.0227 -27.0226 -16.0912 -16.0910 -16.0847 -16.0844 -15.5073 -15.5072 - -15.5002 -15.5000 -15.4954 -15.4953 -2.7286 -2.7265 1.9959 2.0076 - 5.4083 5.6501 5.9190 6.1151 6.3617 6.4015 11.8602 11.8603 - 13.2066 13.2199 13.6713 13.6804 14.2869 14.2889 18.3496 18.3642 - 18.7631 18.7768 19.6036 19.6254 19.9666 19.9853 23.3116 23.3149 - - k =-0.6050 0.6692-0.3863 ( 900 PWs) bands (ev): - - -28.4990 -28.4989 -28.4926 -28.4925 -27.0324 -27.0324 -27.0273 -27.0272 - -27.0228 -27.0227 -16.0913 -16.0911 -16.0849 -16.0845 -15.5074 -15.5073 - -15.5003 -15.5000 -15.4956 -15.4954 -2.7664 -2.7643 2.0382 2.0513 - 5.4494 5.7198 5.9370 6.1496 6.3915 6.4427 11.8680 11.8682 - 13.1140 13.1259 13.6659 13.6737 14.2851 14.2865 18.2610 18.2759 - 18.6644 18.6787 19.5153 19.5370 19.8408 19.8597 23.1474 23.1551 - - k =-0.6050 0.6769-0.3908 ( 900 PWs) bands (ev): - - -28.4990 -28.4990 -28.4927 -28.4926 -27.0325 -27.0325 -27.0273 -27.0273 - -27.0229 -27.0228 -16.0914 -16.0912 -16.0850 -16.0846 -15.5075 -15.5074 - -15.5004 -15.5001 -15.4958 -15.4956 -2.8040 -2.8019 2.0805 2.0950 - 5.4879 5.7824 5.9608 6.1832 6.4264 6.4915 11.8775 11.8780 - 13.0182 13.0288 13.6612 13.6680 14.2826 14.2835 18.1749 18.1901 - 18.5668 18.5815 19.4261 19.4475 19.7165 19.7357 22.9826 22.9902 - - k =-0.6050 0.6846-0.3952 ( 898 PWs) bands (ev): - - -28.4986 -28.4986 -28.4923 -28.4923 -27.0320 -27.0320 -27.0270 -27.0270 - -27.0225 -27.0224 -16.0904 -16.0902 -16.0840 -16.0836 -15.5065 -15.5064 - -15.4997 -15.4995 -15.4944 -15.4943 -2.8413 -2.8392 2.1228 2.1385 - 5.5241 5.8348 5.9928 6.2154 6.4671 6.5478 11.8887 11.8894 - 12.9202 12.9297 13.6564 13.6622 14.2794 14.2796 18.0914 18.1068 - 18.4702 18.4853 19.3364 19.3576 19.5937 19.6131 22.8193 22.8265 - - k =-0.6050 0.6923-0.3997 ( 898 PWs) bands (ev): - - -28.4986 -28.4986 -28.4924 -28.4923 -27.0321 -27.0321 -27.0271 -27.0271 - -27.0225 -27.0225 -16.0905 -16.0903 -16.0841 -16.0837 -15.5066 -15.5064 - -15.4997 -15.4995 -15.4945 -15.4945 -2.8784 -2.8763 2.1649 2.1818 - 5.5585 5.8756 6.0336 6.2461 6.5144 6.6113 11.9014 11.9025 - 12.8205 12.8291 13.6508 13.6556 14.2748 14.2752 18.0106 18.0262 - 18.3749 18.3902 19.2470 19.2677 19.4725 19.4922 22.6582 22.6648 - - k =-0.6050 0.6999-0.4041 ( 900 PWs) bands (ev): - - -28.4988 -28.4988 -28.4933 -28.4932 -27.0323 -27.0323 -27.0274 -27.0274 - -27.0236 -27.0235 -16.0912 -16.0910 -16.0857 -16.0853 -15.5074 -15.5072 - -15.5011 -15.5010 -15.4959 -15.4958 -2.9151 -2.9130 2.2068 2.2249 - 5.5914 5.9070 6.0802 6.2755 6.5689 6.6812 11.9157 11.9170 - 12.7198 12.7275 13.6439 13.6479 14.2690 14.2701 17.9326 17.9485 - 18.2808 18.2964 19.1582 19.1785 19.3530 19.3731 22.4994 22.5055 - - k =-0.6050 0.7076-0.4086 ( 899 PWs) bands (ev): - - -28.4986 -28.4986 -28.4931 -28.4930 -27.0321 -27.0320 -27.0273 -27.0273 - -27.0234 -27.0233 -16.0913 -16.0911 -16.0847 -16.0843 -15.5072 -15.5070 - -15.5005 -15.5004 -15.4952 -15.4951 -2.9514 -2.9493 2.2484 2.2676 - 5.6232 5.9330 6.1285 6.3041 6.6307 6.7568 11.9313 11.9330 - 12.6181 12.6251 13.6356 13.6388 14.2622 14.2640 17.8576 17.8737 - 18.1880 18.2038 19.0707 19.0904 19.2354 19.2559 22.3431 22.3488 - - k =-0.6050 0.7153-0.4130 ( 899 PWs) bands (ev): - - -28.4987 -28.4986 -28.4931 -28.4931 -27.0321 -27.0321 -27.0273 -27.0273 - -27.0235 -27.0234 -16.0913 -16.0911 -16.0848 -16.0844 -15.5073 -15.5071 - -15.5005 -15.5004 -15.4953 -15.4953 -2.9873 -2.9852 2.2896 2.3098 - 5.6544 5.9565 6.1758 6.3322 6.6998 6.8373 11.9481 11.9503 - 12.5159 12.5223 13.6256 13.6280 14.2542 14.2567 17.7857 17.8019 - 18.0964 18.1123 18.9847 19.0040 19.1199 19.1407 22.1894 22.1947 - - k =-0.6050 0.7230-0.4174 ( 899 PWs) bands (ev): - - -28.4987 -28.4987 -28.4932 -28.4931 -27.0321 -27.0321 -27.0273 -27.0273 - -27.0235 -27.0235 -16.0914 -16.0912 -16.0848 -16.0844 -15.5073 -15.5071 - -15.5005 -15.5004 -15.4954 -15.4954 -3.0226 -3.0206 2.3303 2.3516 - 5.6852 5.9790 6.2209 6.3602 6.7754 6.9219 11.9659 11.9686 - 12.4136 12.4194 13.6138 13.6155 14.2451 14.2484 17.7168 17.7330 - 18.0059 18.0218 18.9009 18.9196 19.0065 19.0277 22.0385 22.0434 - - k =-0.6050 0.7307-0.4219 ( 899 PWs) bands (ev): - - -28.4987 -28.4987 -28.4932 -28.4931 -27.0321 -27.0321 -27.0273 -27.0273 - -27.0236 -27.0235 -16.0914 -16.0912 -16.0848 -16.0844 -15.5074 -15.5072 - -15.5005 -15.5003 -15.4955 -15.4955 -3.0575 -3.0555 2.3705 2.3927 - 5.7159 6.0015 6.2636 6.3883 6.8569 7.0101 11.9840 11.9872 - 12.3116 12.3170 13.6000 13.6011 14.2348 14.2389 17.6510 17.6672 - 17.9164 17.9322 18.8194 18.8374 18.8958 18.9174 21.8904 21.8949 - - k =-0.6050 0.7384-0.4263 ( 899 PWs) bands (ev): - - -28.4987 -28.4987 -28.4932 -28.4931 -27.0322 -27.0321 -27.0273 -27.0273 - -27.0236 -27.0236 -16.0914 -16.0912 -16.0848 -16.0844 -15.5074 -15.5072 - -15.5004 -15.5002 -15.4956 -15.4956 -3.0918 -3.0898 2.4102 2.4332 - 5.7468 6.0246 6.3043 6.4166 6.9432 7.1013 12.0005 12.0043 - 12.2121 12.2170 13.5842 13.5846 14.2233 14.2283 17.5882 17.6041 - 17.8278 17.8434 18.7403 18.7569 18.7891 18.8103 21.7453 21.7493 - - k =-0.6050 0.7461-0.4308 ( 899 PWs) bands (ev): - - -28.4990 -28.4989 -28.4930 -28.4929 -27.0327 -27.0327 -27.0268 -27.0268 - -27.0236 -27.0235 -16.0912 -16.0910 -16.0851 -16.0846 -15.5077 -15.5075 - -15.5001 -15.4997 -15.4958 -15.4956 -3.1255 -3.1236 2.4492 2.4730 - 5.7781 6.0484 6.3434 6.4454 7.0337 7.1952 12.0064 12.0108 - 12.1239 12.1285 13.5661 13.5662 14.2108 14.2167 17.5284 17.5438 - 17.7402 17.7552 18.6625 18.6706 18.6944 18.7082 21.6030 21.6068 - - k =-0.6050 0.7538-0.4352 ( 903 PWs) bands (ev): - - -28.5001 -28.5001 -28.4938 -28.4937 -27.0339 -27.0339 -27.0276 -27.0276 - -27.0244 -27.0244 -16.0927 -16.0925 -16.0880 -16.0875 -15.5091 -15.5088 - -15.5028 -15.5023 -15.4985 -15.4981 -3.1586 -3.1567 2.4875 2.5121 - 5.8100 6.0732 6.3814 6.4748 7.1275 7.2914 11.9619 11.9669 - 12.0868 12.0914 13.5455 13.5460 14.1972 14.2040 17.4713 17.4858 - 17.6533 17.6674 18.5722 18.5804 18.6173 18.6188 21.4638 21.4672 - - k =-0.6050 0.7615-0.4396 ( 903 PWs) bands (ev): - - -28.5001 -28.5001 -28.4938 -28.4937 -27.0338 -27.0338 -27.0275 -27.0275 - -27.0247 -27.0247 -16.0930 -16.0928 -16.0878 -16.0873 -15.5090 -15.5089 - -15.5023 -15.5018 -15.4992 -15.4989 -3.1910 -3.1891 2.5251 2.5503 - 5.8425 6.0992 6.4186 6.5048 7.2240 7.3896 11.8711 11.8762 - 12.0965 12.1019 13.5226 13.5236 14.1827 14.1905 17.4167 17.4295 - 17.5676 17.5800 18.4734 18.4893 18.5432 18.5512 21.3276 21.3308 - - k =-0.6050 0.7692-0.4441 ( 907 PWs) bands (ev): - - -28.5016 -28.5015 -28.4943 -28.4943 -27.0355 -27.0355 -27.0281 -27.0281 - -27.0255 -27.0255 -16.0959 -16.0957 -16.0894 -16.0889 -15.5121 -15.5120 - -15.5031 -15.5028 -15.5019 -15.5018 -3.2227 -3.2209 2.5620 2.5876 - 5.8758 6.1263 6.4555 6.5354 7.3227 7.4894 11.7705 11.7758 - 12.1167 12.1230 13.4976 13.4989 14.1675 14.1762 17.3641 17.3738 - 17.4836 17.4928 18.3777 18.3961 18.4794 18.4888 21.1946 21.1975 - - Writing output data file pwo.save - - init_run : 0.52s CPU 0.56s WALL ( 1 calls) - electrons : 47.08s CPU 47.78s WALL ( 1 calls) - - Called by init_run: - wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) - wfcinit:atom : 0.01s CPU 0.01s WALL ( 201 calls) - wfcinit:wfcr : 2.17s CPU 2.23s WALL ( 201 calls) - potinit : 0.14s CPU 0.16s WALL ( 1 calls) - - Called by electrons: - c_bands : 47.07s CPU 47.75s WALL ( 1 calls) - v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) - v_h : 0.00s CPU 0.00s WALL ( 1 calls) - v_xc : 0.00s CPU 0.00s WALL ( 1 calls) - newd : 0.08s CPU 0.08s WALL ( 1 calls) - PAW_pot : 0.12s CPU 0.14s WALL ( 1 calls) - - Called by c_bands: - init_us_2 : 0.01s CPU 0.01s WALL ( 201 calls) - cegterg : 44.72s CPU 45.34s WALL ( 203 calls) - - Called by sum_band: - - Called by *egterg: - h_psi : 16.28s CPU 16.89s WALL ( 3739 calls) - s_psi : 1.63s CPU 1.63s WALL ( 3739 calls) - g_psi : 0.06s CPU 0.06s WALL ( 3335 calls) - cdiaghg : 24.54s CPU 24.57s WALL ( 3536 calls) - cegterg:over : 1.92s CPU 1.93s WALL ( 3335 calls) - cegterg:upda : 0.96s CPU 0.95s WALL ( 3335 calls) - cegterg:last : 0.71s CPU 0.71s WALL ( 639 calls) - cdiaghg:chol : 1.02s CPU 1.02s WALL ( 3536 calls) - cdiaghg:inve : 1.01s CPU 1.01s WALL ( 3536 calls) - cdiaghg:para : 2.20s CPU 2.21s WALL ( 7072 calls) - - Called by h_psi: - h_psi:pot : 16.26s CPU 16.85s WALL ( 3739 calls) - h_psi:calbec : 0.99s CPU 1.01s WALL ( 3739 calls) - vloc_psi : 13.61s CPU 14.14s WALL ( 3739 calls) - add_vuspsi : 1.66s CPU 1.68s WALL ( 3739 calls) - - General routines - calbec : 0.98s CPU 1.01s WALL ( 3739 calls) - fft : 0.01s CPU 0.01s WALL ( 19 calls) - ffts : 0.00s CPU 0.00s WALL ( 4 calls) - fftw : 12.37s CPU 12.70s WALL ( 405252 calls) - interpolate : 0.00s CPU 0.00s WALL ( 4 calls) - davcio : 0.00s CPU 0.01s WALL ( 201 calls) - - Parallel routines - fft_scatter : 8.44s CPU 7.41s WALL ( 405275 calls) - - PAW routines - PAW_pot : 0.12s CPU 0.14s WALL ( 1 calls) - - PWSCF : 0m49.88s CPU 1m11.55s WALL - - - This run was terminated on: 10:31:21 13Jan2017 - -=------------------------------------------------------------------------------= - JOB DONE. -=------------------------------------------------------------------------------= diff --git a/assets/outputs/scf.out b/assets/outputs/scf.out deleted file mode 100644 index b245d0dc..00000000 --- a/assets/outputs/scf.out +++ /dev/null @@ -1,9838 +0,0 @@ - - Program PWSCF v.6.0 (svn rev. 13079) starts on 12Apr2017 at 0:21:49 - - This program is part of the open-source Quantum ESPRESSO suite - for quantum simulation of materials; please cite - "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); - URL http://www.quantum-espresso.org", - in publications or presentations arising from this work. More details at - http://www.quantum-espresso.org/quote - - Parallel version (MPI), running on 20 processors - R & G space division: proc/nbgrp/npool/nimage = 20 - Waiting for input... - Reading input from standard input -Warning: card &IONS ignored -Warning: card ION_DYNAMICS='BFGS', ignored -Warning: card / ignored -Warning: card &CELL ignored -Warning: card CELL_DYNAMICS = 'BFGS' ignored -Warning: card PRESS = 0 ignored -Warning: card / ignored - - Current dimensions of program PWSCF are: - Max number of different atomic species (ntypx) = 10 - Max number of k-points (npk) = 40000 - Max angular momentum in pseudopotentials (lmaxx) = 3 - - Subspace diagonalization in iterative solution of the eigenvalue problem: - one sub-group per band group will be used - scalapack distributed-memory algorithm (size of sub-group: 3* 3 procs) - - - Parallelization info - -------------------- - sticks: dense smooth PW G-vecs: dense smooth PW - Min 147 147 41 6044 6044 880 - Max 148 148 42 6047 6047 882 - Sum 2953 2953 821 120913 120913 17611 - - - - bravais-lattice index = 0 - lattice parameter (alat) = 11.5257 a.u. - unit-cell volume = 1529.4688 (a.u.)^3 - number of atoms/cell = 5 - number of atomic types = 3 - number of electrons = 74.00 - number of Kohn-Sham states= 48 - kinetic-energy cutoff = 70.0000 Ry - charge density cutoff = 280.0000 Ry - convergence threshold = 1.0E-08 - mixing beta = 0.3000 - number of iterations used = 8 plain mixing - Exchange-correlation = PBE ( 1 4 3 4 0 0) - - celldm(1)= 11.525710 celldm(2)= 0.000000 celldm(3)= 0.000000 - celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 - - crystal axes: (cart. coord. in units of alat) - a(1) = ( 1.000000 0.000000 0.000000 ) - a(2) = ( 0.026871 0.999639 0.000000 ) - a(3) = ( 0.026871 0.026159 0.999297 ) - - reciprocal axes: (cart. coord. in units 2 pi/alat) - b(1) = ( 1.000000 -0.026881 -0.026187 ) - b(2) = ( 0.000000 1.000361 -0.026187 ) - b(3) = ( 0.000000 0.000000 1.000704 ) - - - PseudoPot. # 1 for Cs read from file: - ../pp/Cs_oncvpsp.upf - MD5 check sum: 95e987ccee19ea9b641bdc278c296ad8 - Pseudo is Norm-conserving, Zval = 9.0 - Generated using ONCVPSP code by D. R. Hamann - Using radial grid of 2414 points, 6 beta functions with: - l(1) = 0 - l(2) = 0 - l(3) = 1 - l(4) = 1 - l(5) = 2 - l(6) = 2 - - PseudoPot. # 2 for I read from file: - ../pp/I_oncvpsp.upf - MD5 check sum: f523dd222ffac76279e7ba3c23ab4596 - Pseudo is Norm-conserving, Zval = 17.0 - Generated using ONCVPSP code by D. R. Hamann - Using radial grid of 1196 points, 6 beta functions with: - l(1) = 0 - l(2) = 0 - l(3) = 1 - l(4) = 1 - l(5) = 2 - l(6) = 2 - - PseudoPot. # 3 for Ge read from file: - ../pp/Ge_oncvpsp.upf - MD5 check sum: 5ba2d6519bc98d6012a18e495c67378d - Pseudo is Norm-conserving + core correction, Zval = 14.0 - Generated using ONCVPSP code by D. R. Hamann - Using radial grid of 1560 points, 6 beta functions with: - l(1) = 0 - l(2) = 0 - l(3) = 1 - l(4) = 1 - l(5) = 2 - l(6) = 2 - - atomic species valence mass pseudopotential - Cs 9.00 55.00000 Cs( 1.00) - I 17.00 53.00000 I ( 1.00) - Ge 14.00 32.00000 Ge( 1.00) - - No symmetry found - - - s frac. trans. - - isym = 1 identity - - cryst. s( 1) = ( 1 0 0 ) - ( 0 1 0 ) - ( 0 0 1 ) - - cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) - ( 0.0000000 1.0000000 0.0000000 ) - ( 0.0000000 0.0000000 1.0000000 ) - - - Cartesian axes - - site n. atom positions (alat units) - 1 Cs tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) - 2 I tau( 2) = ( 0.5180705 0.0242888 0.5038683 ) - 3 I tau( 3) = ( 0.5180705 0.5043314 0.0110952 ) - 4 I tau( 4) = ( 0.0382012 0.5172307 0.5038683 ) - 5 Ge tau( 5) = ( 0.4936004 0.4805102 0.4680965 ) - - Crystallographic axes - - site n. atom positions (cryst. coord.) - 1 Cs tau( 1) = ( 0.0000000 0.0000000 0.0000000 ) - 2 I tau( 2) = ( 0.5042230 0.0111030 0.5042230 ) - 3 I tau( 3) = ( 0.5042230 0.5042230 0.0111030 ) - 4 I tau( 4) = ( 0.0111030 0.5042230 0.5042230 ) - 5 Ge tau( 5) = ( 0.4684260 0.4684260 0.4684260 ) - - number of k points= 500 Marzari-Vanderbilt smearing, width (Ry)= 0.0100 - cart. coord. in units 2pi/alat - k( 1) = ( 0.0500000 0.0486740 0.0474165), wk = 0.0040000 - k( 2) = ( 0.0500000 0.0486740 0.1474869), wk = 0.0040000 - k( 3) = ( 0.0500000 0.0486740 0.2475573), wk = 0.0040000 - k( 4) = ( 0.0500000 0.0486740 0.3476277), wk = 0.0040000 - k( 5) = ( 0.0500000 0.0486740 0.4476981), wk = 0.0040000 - k( 6) = ( 0.0500000 0.0486740 -0.4529354), wk = 0.0040000 - k( 7) = ( 0.0500000 0.0486740 -0.3528650), wk = 0.0040000 - k( 8) = ( 0.0500000 0.0486740 -0.2527946), wk = 0.0040000 - k( 9) = ( 0.0500000 0.0486740 -0.1527242), wk = 0.0040000 - k( 10) = ( 0.0500000 0.0486740 -0.0526538), wk = 0.0040000 - k( 11) = ( 0.0500000 0.1487101 0.0447979), wk = 0.0040000 - k( 12) = ( 0.0500000 0.1487101 0.1448683), wk = 0.0040000 - k( 13) = ( 0.0500000 0.1487101 0.2449387), wk = 0.0040000 - k( 14) = ( 0.0500000 0.1487101 0.3450091), wk = 0.0040000 - k( 15) = ( 0.0500000 0.1487101 0.4450795), wk = 0.0040000 - k( 16) = ( 0.0500000 0.1487101 -0.4555541), wk = 0.0040000 - k( 17) = ( 0.0500000 0.1487101 -0.3554837), wk = 0.0040000 - k( 18) = ( 0.0500000 0.1487101 -0.2554133), wk = 0.0040000 - k( 19) = ( 0.0500000 0.1487101 -0.1553429), wk = 0.0040000 - k( 20) = ( 0.0500000 0.1487101 -0.0552725), wk = 0.0040000 - k( 21) = ( 0.0500000 0.2487463 0.0421792), wk = 0.0040000 - k( 22) = ( 0.0500000 0.2487463 0.1422496), wk = 0.0040000 - k( 23) = ( 0.0500000 0.2487463 0.2423200), wk = 0.0040000 - k( 24) = ( 0.0500000 0.2487463 0.3423904), wk = 0.0040000 - k( 25) = ( 0.0500000 0.2487463 0.4424608), wk = 0.0040000 - k( 26) = ( 0.0500000 0.2487463 -0.4581727), wk = 0.0040000 - k( 27) = ( 0.0500000 0.2487463 -0.3581023), wk = 0.0040000 - k( 28) = ( 0.0500000 0.2487463 -0.2580319), wk = 0.0040000 - k( 29) = ( 0.0500000 0.2487463 -0.1579615), wk = 0.0040000 - k( 30) = ( 0.0500000 0.2487463 -0.0578911), wk = 0.0040000 - k( 31) = ( 0.0500000 0.3487824 0.0395606), wk = 0.0040000 - k( 32) = ( 0.0500000 0.3487824 0.1396310), wk = 0.0040000 - k( 33) = ( 0.0500000 0.3487824 0.2397014), wk = 0.0040000 - k( 34) = ( 0.0500000 0.3487824 0.3397718), wk = 0.0040000 - k( 35) = ( 0.0500000 0.3487824 0.4398422), wk = 0.0040000 - k( 36) = ( 0.0500000 0.3487824 -0.4607914), wk = 0.0040000 - k( 37) = ( 0.0500000 0.3487824 -0.3607210), wk = 0.0040000 - k( 38) = ( 0.0500000 0.3487824 -0.2606506), wk = 0.0040000 - k( 39) = ( 0.0500000 0.3487824 -0.1605802), wk = 0.0040000 - k( 40) = ( 0.0500000 0.3487824 -0.0605098), wk = 0.0040000 - k( 41) = ( 0.0500000 0.4488185 0.0369419), wk = 0.0040000 - k( 42) = ( 0.0500000 0.4488185 0.1370123), wk = 0.0040000 - k( 43) = ( 0.0500000 0.4488185 0.2370827), wk = 0.0040000 - k( 44) = ( 0.0500000 0.4488185 0.3371531), wk = 0.0040000 - k( 45) = ( 0.0500000 0.4488185 0.4372235), wk = 0.0040000 - k( 46) = ( 0.0500000 0.4488185 -0.4634100), wk = 0.0040000 - k( 47) = ( 0.0500000 0.4488185 -0.3633396), wk = 0.0040000 - k( 48) = ( 0.0500000 0.4488185 -0.2632692), wk = 0.0040000 - k( 49) = ( 0.0500000 0.4488185 -0.1631988), wk = 0.0040000 - k( 50) = ( 0.0500000 0.4488185 -0.0631285), wk = 0.0040000 - k( 51) = ( 0.0500000 -0.4515066 0.0605098), wk = 0.0040000 - k( 52) = ( 0.0500000 -0.4515066 0.1605802), wk = 0.0040000 - k( 53) = ( 0.0500000 -0.4515066 0.2606506), wk = 0.0040000 - k( 54) = ( 0.0500000 -0.4515066 0.3607210), wk = 0.0040000 - k( 55) = ( 0.0500000 -0.4515066 0.4607914), wk = 0.0040000 - k( 56) = ( 0.0500000 -0.4515066 -0.4398422), wk = 0.0040000 - k( 57) = ( 0.0500000 -0.4515066 -0.3397718), wk = 0.0040000 - k( 58) = ( 0.0500000 -0.4515066 -0.2397014), wk = 0.0040000 - k( 59) = ( 0.0500000 -0.4515066 -0.1396310), wk = 0.0040000 - k( 60) = ( 0.0500000 -0.4515066 -0.0395606), wk = 0.0040000 - k( 61) = ( 0.0500000 -0.3514705 0.0578911), wk = 0.0040000 - k( 62) = ( 0.0500000 -0.3514705 0.1579615), wk = 0.0040000 - k( 63) = ( 0.0500000 -0.3514705 0.2580319), wk = 0.0040000 - k( 64) = ( 0.0500000 -0.3514705 0.3581023), wk = 0.0040000 - k( 65) = ( 0.0500000 -0.3514705 0.4581727), wk = 0.0040000 - k( 66) = ( 0.0500000 -0.3514705 -0.4424608), wk = 0.0040000 - k( 67) = ( 0.0500000 -0.3514705 -0.3423904), wk = 0.0040000 - k( 68) = ( 0.0500000 -0.3514705 -0.2423200), wk = 0.0040000 - k( 69) = ( 0.0500000 -0.3514705 -0.1422496), wk = 0.0040000 - k( 70) = ( 0.0500000 -0.3514705 -0.0421792), wk = 0.0040000 - k( 71) = ( 0.0500000 -0.2514344 0.0552725), wk = 0.0040000 - k( 72) = ( 0.0500000 -0.2514344 0.1553429), wk = 0.0040000 - k( 73) = ( 0.0500000 -0.2514344 0.2554133), wk = 0.0040000 - k( 74) = ( 0.0500000 -0.2514344 0.3554837), wk = 0.0040000 - k( 75) = ( 0.0500000 -0.2514344 0.4555541), wk = 0.0040000 - k( 76) = ( 0.0500000 -0.2514344 -0.4450795), wk = 0.0040000 - k( 77) = ( 0.0500000 -0.2514344 -0.3450091), wk = 0.0040000 - k( 78) = ( 0.0500000 -0.2514344 -0.2449387), wk = 0.0040000 - k( 79) = ( 0.0500000 -0.2514344 -0.1448683), wk = 0.0040000 - k( 80) = ( 0.0500000 -0.2514344 -0.0447979), wk = 0.0040000 - k( 81) = ( 0.0500000 -0.1513982 0.0526538), wk = 0.0040000 - k( 82) = ( 0.0500000 -0.1513982 0.1527242), wk = 0.0040000 - k( 83) = ( 0.0500000 -0.1513982 0.2527946), wk = 0.0040000 - k( 84) = ( 0.0500000 -0.1513982 0.3528650), wk = 0.0040000 - k( 85) = ( 0.0500000 -0.1513982 0.4529354), wk = 0.0040000 - k( 86) = ( 0.0500000 -0.1513982 -0.4476981), wk = 0.0040000 - k( 87) = ( 0.0500000 -0.1513982 -0.3476277), wk = 0.0040000 - k( 88) = ( 0.0500000 -0.1513982 -0.2475573), wk = 0.0040000 - k( 89) = ( 0.0500000 -0.1513982 -0.1474869), wk = 0.0040000 - k( 90) = ( 0.0500000 -0.1513982 -0.0474165), wk = 0.0040000 - k( 91) = ( 0.0500000 -0.0513621 0.0500352), wk = 0.0040000 - k( 92) = ( 0.0500000 -0.0513621 0.1501056), wk = 0.0040000 - k( 93) = ( 0.0500000 -0.0513621 0.2501760), wk = 0.0040000 - k( 94) = ( 0.0500000 -0.0513621 0.3502464), wk = 0.0040000 - k( 95) = ( 0.0500000 -0.0513621 0.4503168), wk = 0.0040000 - k( 96) = ( 0.0500000 -0.0513621 -0.4503168), wk = 0.0040000 - k( 97) = ( 0.0500000 -0.0513621 -0.3502464), wk = 0.0040000 - k( 98) = ( 0.0500000 -0.0513621 -0.2501760), wk = 0.0040000 - k( 99) = ( 0.0500000 -0.0513621 -0.1501056), wk = 0.0040000 - k( 100) = ( 0.0500000 -0.0513621 -0.0500352), wk = 0.0040000 - k( 101) = ( 0.1500000 0.0459859 0.0447979), wk = 0.0040000 - k( 102) = ( 0.1500000 0.0459859 0.1448683), wk = 0.0040000 - k( 103) = ( 0.1500000 0.0459859 0.2449387), wk = 0.0040000 - k( 104) = ( 0.1500000 0.0459859 0.3450091), wk = 0.0040000 - k( 105) = ( 0.1500000 0.0459859 0.4450795), wk = 0.0040000 - k( 106) = ( 0.1500000 0.0459859 -0.4555541), wk = 0.0040000 - k( 107) = ( 0.1500000 0.0459859 -0.3554837), wk = 0.0040000 - k( 108) = ( 0.1500000 0.0459859 -0.2554133), wk = 0.0040000 - k( 109) = ( 0.1500000 0.0459859 -0.1553429), wk = 0.0040000 - k( 110) = ( 0.1500000 0.0459859 -0.0552725), wk = 0.0040000 - k( 111) = ( 0.1500000 0.1460220 0.0421792), wk = 0.0040000 - k( 112) = ( 0.1500000 0.1460220 0.1422496), wk = 0.0040000 - k( 113) = ( 0.1500000 0.1460220 0.2423200), wk = 0.0040000 - k( 114) = ( 0.1500000 0.1460220 0.3423904), wk = 0.0040000 - k( 115) = ( 0.1500000 0.1460220 0.4424608), wk = 0.0040000 - k( 116) = ( 0.1500000 0.1460220 -0.4581727), wk = 0.0040000 - k( 117) = ( 0.1500000 0.1460220 -0.3581023), wk = 0.0040000 - k( 118) = ( 0.1500000 0.1460220 -0.2580319), wk = 0.0040000 - k( 119) = ( 0.1500000 0.1460220 -0.1579615), wk = 0.0040000 - k( 120) = ( 0.1500000 0.1460220 -0.0578911), wk = 0.0040000 - k( 121) = ( 0.1500000 0.2460582 0.0395606), wk = 0.0040000 - k( 122) = ( 0.1500000 0.2460582 0.1396310), wk = 0.0040000 - k( 123) = ( 0.1500000 0.2460582 0.2397014), wk = 0.0040000 - k( 124) = ( 0.1500000 0.2460582 0.3397718), wk = 0.0040000 - k( 125) = ( 0.1500000 0.2460582 0.4398422), wk = 0.0040000 - k( 126) = ( 0.1500000 0.2460582 -0.4607914), wk = 0.0040000 - k( 127) = ( 0.1500000 0.2460582 -0.3607210), wk = 0.0040000 - k( 128) = ( 0.1500000 0.2460582 -0.2606506), wk = 0.0040000 - k( 129) = ( 0.1500000 0.2460582 -0.1605802), wk = 0.0040000 - k( 130) = ( 0.1500000 0.2460582 -0.0605098), wk = 0.0040000 - k( 131) = ( 0.1500000 0.3460943 0.0369419), wk = 0.0040000 - k( 132) = ( 0.1500000 0.3460943 0.1370123), wk = 0.0040000 - k( 133) = ( 0.1500000 0.3460943 0.2370827), wk = 0.0040000 - k( 134) = ( 0.1500000 0.3460943 0.3371531), wk = 0.0040000 - k( 135) = ( 0.1500000 0.3460943 0.4372235), wk = 0.0040000 - k( 136) = ( 0.1500000 0.3460943 -0.4634100), wk = 0.0040000 - k( 137) = ( 0.1500000 0.3460943 -0.3633396), wk = 0.0040000 - k( 138) = ( 0.1500000 0.3460943 -0.2632692), wk = 0.0040000 - k( 139) = ( 0.1500000 0.3460943 -0.1631988), wk = 0.0040000 - k( 140) = ( 0.1500000 0.3460943 -0.0631285), wk = 0.0040000 - k( 141) = ( 0.1500000 0.4461304 0.0343233), wk = 0.0040000 - k( 142) = ( 0.1500000 0.4461304 0.1343937), wk = 0.0040000 - k( 143) = ( 0.1500000 0.4461304 0.2344641), wk = 0.0040000 - k( 144) = ( 0.1500000 0.4461304 0.3345345), wk = 0.0040000 - k( 145) = ( 0.1500000 0.4461304 0.4346049), wk = 0.0040000 - k( 146) = ( 0.1500000 0.4461304 -0.4660287), wk = 0.0040000 - k( 147) = ( 0.1500000 0.4461304 -0.3659583), wk = 0.0040000 - k( 148) = ( 0.1500000 0.4461304 -0.2658879), wk = 0.0040000 - k( 149) = ( 0.1500000 0.4461304 -0.1658175), wk = 0.0040000 - k( 150) = ( 0.1500000 0.4461304 -0.0657471), wk = 0.0040000 - k( 151) = ( 0.1500000 -0.4541947 0.0578911), wk = 0.0040000 - k( 152) = ( 0.1500000 -0.4541947 0.1579615), wk = 0.0040000 - k( 153) = ( 0.1500000 -0.4541947 0.2580319), wk = 0.0040000 - k( 154) = ( 0.1500000 -0.4541947 0.3581023), wk = 0.0040000 - k( 155) = ( 0.1500000 -0.4541947 0.4581727), wk = 0.0040000 - k( 156) = ( 0.1500000 -0.4541947 -0.4424608), wk = 0.0040000 - k( 157) = ( 0.1500000 -0.4541947 -0.3423904), wk = 0.0040000 - k( 158) = ( 0.1500000 -0.4541947 -0.2423200), wk = 0.0040000 - k( 159) = ( 0.1500000 -0.4541947 -0.1422496), wk = 0.0040000 - k( 160) = ( 0.1500000 -0.4541947 -0.0421792), wk = 0.0040000 - k( 161) = ( 0.1500000 -0.3541586 0.0552725), wk = 0.0040000 - k( 162) = ( 0.1500000 -0.3541586 0.1553429), wk = 0.0040000 - k( 163) = ( 0.1500000 -0.3541586 0.2554133), wk = 0.0040000 - k( 164) = ( 0.1500000 -0.3541586 0.3554837), wk = 0.0040000 - k( 165) = ( 0.1500000 -0.3541586 0.4555541), wk = 0.0040000 - k( 166) = ( 0.1500000 -0.3541586 -0.4450795), wk = 0.0040000 - k( 167) = ( 0.1500000 -0.3541586 -0.3450091), wk = 0.0040000 - k( 168) = ( 0.1500000 -0.3541586 -0.2449387), wk = 0.0040000 - k( 169) = ( 0.1500000 -0.3541586 -0.1448683), wk = 0.0040000 - k( 170) = ( 0.1500000 -0.3541586 -0.0447979), wk = 0.0040000 - k( 171) = ( 0.1500000 -0.2541225 0.0526538), wk = 0.0040000 - k( 172) = ( 0.1500000 -0.2541225 0.1527242), wk = 0.0040000 - k( 173) = ( 0.1500000 -0.2541225 0.2527946), wk = 0.0040000 - k( 174) = ( 0.1500000 -0.2541225 0.3528650), wk = 0.0040000 - k( 175) = ( 0.1500000 -0.2541225 0.4529354), wk = 0.0040000 - k( 176) = ( 0.1500000 -0.2541225 -0.4476981), wk = 0.0040000 - k( 177) = ( 0.1500000 -0.2541225 -0.3476277), wk = 0.0040000 - k( 178) = ( 0.1500000 -0.2541225 -0.2475573), wk = 0.0040000 - k( 179) = ( 0.1500000 -0.2541225 -0.1474869), wk = 0.0040000 - k( 180) = ( 0.1500000 -0.2541225 -0.0474165), wk = 0.0040000 - k( 181) = ( 0.1500000 -0.1540863 0.0500352), wk = 0.0040000 - k( 182) = ( 0.1500000 -0.1540863 0.1501056), wk = 0.0040000 - k( 183) = ( 0.1500000 -0.1540863 0.2501760), wk = 0.0040000 - k( 184) = ( 0.1500000 -0.1540863 0.3502464), wk = 0.0040000 - k( 185) = ( 0.1500000 -0.1540863 0.4503168), wk = 0.0040000 - k( 186) = ( 0.1500000 -0.1540863 -0.4503168), wk = 0.0040000 - k( 187) = ( 0.1500000 -0.1540863 -0.3502464), wk = 0.0040000 - k( 188) = ( 0.1500000 -0.1540863 -0.2501760), wk = 0.0040000 - k( 189) = ( 0.1500000 -0.1540863 -0.1501056), wk = 0.0040000 - k( 190) = ( 0.1500000 -0.1540863 -0.0500352), wk = 0.0040000 - k( 191) = ( 0.1500000 -0.0540502 0.0474165), wk = 0.0040000 - k( 192) = ( 0.1500000 -0.0540502 0.1474869), wk = 0.0040000 - k( 193) = ( 0.1500000 -0.0540502 0.2475573), wk = 0.0040000 - k( 194) = ( 0.1500000 -0.0540502 0.3476277), wk = 0.0040000 - k( 195) = ( 0.1500000 -0.0540502 0.4476981), wk = 0.0040000 - k( 196) = ( 0.1500000 -0.0540502 -0.4529354), wk = 0.0040000 - k( 197) = ( 0.1500000 -0.0540502 -0.3528650), wk = 0.0040000 - k( 198) = ( 0.1500000 -0.0540502 -0.2527946), wk = 0.0040000 - k( 199) = ( 0.1500000 -0.0540502 -0.1527242), wk = 0.0040000 - k( 200) = ( 0.1500000 -0.0540502 -0.0526538), wk = 0.0040000 - k( 201) = ( 0.2500000 0.0432978 0.0421792), wk = 0.0040000 - k( 202) = ( 0.2500000 0.0432978 0.1422496), wk = 0.0040000 - k( 203) = ( 0.2500000 0.0432978 0.2423200), wk = 0.0040000 - k( 204) = ( 0.2500000 0.0432978 0.3423904), wk = 0.0040000 - k( 205) = ( 0.2500000 0.0432978 0.4424608), wk = 0.0040000 - k( 206) = ( 0.2500000 0.0432978 -0.4581727), wk = 0.0040000 - k( 207) = ( 0.2500000 0.0432978 -0.3581023), wk = 0.0040000 - k( 208) = ( 0.2500000 0.0432978 -0.2580319), wk = 0.0040000 - k( 209) = ( 0.2500000 0.0432978 -0.1579615), wk = 0.0040000 - k( 210) = ( 0.2500000 0.0432978 -0.0578911), wk = 0.0040000 - k( 211) = ( 0.2500000 0.1433339 0.0395606), wk = 0.0040000 - k( 212) = ( 0.2500000 0.1433339 0.1396310), wk = 0.0040000 - k( 213) = ( 0.2500000 0.1433339 0.2397014), wk = 0.0040000 - k( 214) = ( 0.2500000 0.1433339 0.3397718), wk = 0.0040000 - k( 215) = ( 0.2500000 0.1433339 0.4398422), wk = 0.0040000 - k( 216) = ( 0.2500000 0.1433339 -0.4607914), wk = 0.0040000 - k( 217) = ( 0.2500000 0.1433339 -0.3607210), wk = 0.0040000 - k( 218) = ( 0.2500000 0.1433339 -0.2606506), wk = 0.0040000 - k( 219) = ( 0.2500000 0.1433339 -0.1605802), wk = 0.0040000 - k( 220) = ( 0.2500000 0.1433339 -0.0605098), wk = 0.0040000 - k( 221) = ( 0.2500000 0.2433701 0.0369419), wk = 0.0040000 - k( 222) = ( 0.2500000 0.2433701 0.1370123), wk = 0.0040000 - k( 223) = ( 0.2500000 0.2433701 0.2370827), wk = 0.0040000 - k( 224) = ( 0.2500000 0.2433701 0.3371531), wk = 0.0040000 - k( 225) = ( 0.2500000 0.2433701 0.4372235), wk = 0.0040000 - k( 226) = ( 0.2500000 0.2433701 -0.4634100), wk = 0.0040000 - k( 227) = ( 0.2500000 0.2433701 -0.3633396), wk = 0.0040000 - k( 228) = ( 0.2500000 0.2433701 -0.2632692), wk = 0.0040000 - k( 229) = ( 0.2500000 0.2433701 -0.1631988), wk = 0.0040000 - k( 230) = ( 0.2500000 0.2433701 -0.0631285), wk = 0.0040000 - k( 231) = ( 0.2500000 0.3434062 0.0343233), wk = 0.0040000 - k( 232) = ( 0.2500000 0.3434062 0.1343937), wk = 0.0040000 - k( 233) = ( 0.2500000 0.3434062 0.2344641), wk = 0.0040000 - k( 234) = ( 0.2500000 0.3434062 0.3345345), wk = 0.0040000 - k( 235) = ( 0.2500000 0.3434062 0.4346049), wk = 0.0040000 - k( 236) = ( 0.2500000 0.3434062 -0.4660287), wk = 0.0040000 - k( 237) = ( 0.2500000 0.3434062 -0.3659583), wk = 0.0040000 - k( 238) = ( 0.2500000 0.3434062 -0.2658879), wk = 0.0040000 - k( 239) = ( 0.2500000 0.3434062 -0.1658175), wk = 0.0040000 - k( 240) = ( 0.2500000 0.3434062 -0.0657471), wk = 0.0040000 - k( 241) = ( 0.2500000 0.4434423 0.0317046), wk = 0.0040000 - k( 242) = ( 0.2500000 0.4434423 0.1317750), wk = 0.0040000 - k( 243) = ( 0.2500000 0.4434423 0.2318454), wk = 0.0040000 - k( 244) = ( 0.2500000 0.4434423 0.3319158), wk = 0.0040000 - k( 245) = ( 0.2500000 0.4434423 0.4319862), wk = 0.0040000 - k( 246) = ( 0.2500000 0.4434423 -0.4686473), wk = 0.0040000 - k( 247) = ( 0.2500000 0.4434423 -0.3685769), wk = 0.0040000 - k( 248) = ( 0.2500000 0.4434423 -0.2685065), wk = 0.0040000 - k( 249) = ( 0.2500000 0.4434423 -0.1684361), wk = 0.0040000 - k( 250) = ( 0.2500000 0.4434423 -0.0683658), wk = 0.0040000 - k( 251) = ( 0.2500000 -0.4568828 0.0552725), wk = 0.0040000 - k( 252) = ( 0.2500000 -0.4568828 0.1553429), wk = 0.0040000 - k( 253) = ( 0.2500000 -0.4568828 0.2554133), wk = 0.0040000 - k( 254) = ( 0.2500000 -0.4568828 0.3554837), wk = 0.0040000 - k( 255) = ( 0.2500000 -0.4568828 0.4555541), wk = 0.0040000 - k( 256) = ( 0.2500000 -0.4568828 -0.4450795), wk = 0.0040000 - k( 257) = ( 0.2500000 -0.4568828 -0.3450091), wk = 0.0040000 - k( 258) = ( 0.2500000 -0.4568828 -0.2449387), wk = 0.0040000 - k( 259) = ( 0.2500000 -0.4568828 -0.1448683), wk = 0.0040000 - k( 260) = ( 0.2500000 -0.4568828 -0.0447979), wk = 0.0040000 - k( 261) = ( 0.2500000 -0.3568467 0.0526538), wk = 0.0040000 - k( 262) = ( 0.2500000 -0.3568467 0.1527242), wk = 0.0040000 - k( 263) = ( 0.2500000 -0.3568467 0.2527946), wk = 0.0040000 - k( 264) = ( 0.2500000 -0.3568467 0.3528650), wk = 0.0040000 - k( 265) = ( 0.2500000 -0.3568467 0.4529354), wk = 0.0040000 - k( 266) = ( 0.2500000 -0.3568467 -0.4476981), wk = 0.0040000 - k( 267) = ( 0.2500000 -0.3568467 -0.3476277), wk = 0.0040000 - k( 268) = ( 0.2500000 -0.3568467 -0.2475573), wk = 0.0040000 - k( 269) = ( 0.2500000 -0.3568467 -0.1474869), wk = 0.0040000 - k( 270) = ( 0.2500000 -0.3568467 -0.0474165), wk = 0.0040000 - k( 271) = ( 0.2500000 -0.2568105 0.0500352), wk = 0.0040000 - k( 272) = ( 0.2500000 -0.2568105 0.1501056), wk = 0.0040000 - k( 273) = ( 0.2500000 -0.2568105 0.2501760), wk = 0.0040000 - k( 274) = ( 0.2500000 -0.2568105 0.3502464), wk = 0.0040000 - k( 275) = ( 0.2500000 -0.2568105 0.4503168), wk = 0.0040000 - k( 276) = ( 0.2500000 -0.2568105 -0.4503168), wk = 0.0040000 - k( 277) = ( 0.2500000 -0.2568105 -0.3502464), wk = 0.0040000 - k( 278) = ( 0.2500000 -0.2568105 -0.2501760), wk = 0.0040000 - k( 279) = ( 0.2500000 -0.2568105 -0.1501056), wk = 0.0040000 - k( 280) = ( 0.2500000 -0.2568105 -0.0500352), wk = 0.0040000 - k( 281) = ( 0.2500000 -0.1567744 0.0474165), wk = 0.0040000 - k( 282) = ( 0.2500000 -0.1567744 0.1474869), wk = 0.0040000 - k( 283) = ( 0.2500000 -0.1567744 0.2475573), wk = 0.0040000 - k( 284) = ( 0.2500000 -0.1567744 0.3476277), wk = 0.0040000 - k( 285) = ( 0.2500000 -0.1567744 0.4476981), wk = 0.0040000 - k( 286) = ( 0.2500000 -0.1567744 -0.4529354), wk = 0.0040000 - k( 287) = ( 0.2500000 -0.1567744 -0.3528650), wk = 0.0040000 - k( 288) = ( 0.2500000 -0.1567744 -0.2527946), wk = 0.0040000 - k( 289) = ( 0.2500000 -0.1567744 -0.1527242), wk = 0.0040000 - k( 290) = ( 0.2500000 -0.1567744 -0.0526538), wk = 0.0040000 - k( 291) = ( 0.2500000 -0.0567383 0.0447979), wk = 0.0040000 - k( 292) = ( 0.2500000 -0.0567383 0.1448683), wk = 0.0040000 - k( 293) = ( 0.2500000 -0.0567383 0.2449387), wk = 0.0040000 - k( 294) = ( 0.2500000 -0.0567383 0.3450091), wk = 0.0040000 - k( 295) = ( 0.2500000 -0.0567383 0.4450795), wk = 0.0040000 - k( 296) = ( 0.2500000 -0.0567383 -0.4555541), wk = 0.0040000 - k( 297) = ( 0.2500000 -0.0567383 -0.3554837), wk = 0.0040000 - k( 298) = ( 0.2500000 -0.0567383 -0.2554133), wk = 0.0040000 - k( 299) = ( 0.2500000 -0.0567383 -0.1553429), wk = 0.0040000 - k( 300) = ( 0.2500000 -0.0567383 -0.0552725), wk = 0.0040000 - k( 301) = ( 0.3500000 0.0406097 0.0395606), wk = 0.0040000 - k( 302) = ( 0.3500000 0.0406097 0.1396310), wk = 0.0040000 - k( 303) = ( 0.3500000 0.0406097 0.2397014), wk = 0.0040000 - k( 304) = ( 0.3500000 0.0406097 0.3397718), wk = 0.0040000 - k( 305) = ( 0.3500000 0.0406097 0.4398422), wk = 0.0040000 - k( 306) = ( 0.3500000 0.0406097 -0.4607914), wk = 0.0040000 - k( 307) = ( 0.3500000 0.0406097 -0.3607210), wk = 0.0040000 - k( 308) = ( 0.3500000 0.0406097 -0.2606506), wk = 0.0040000 - k( 309) = ( 0.3500000 0.0406097 -0.1605802), wk = 0.0040000 - k( 310) = ( 0.3500000 0.0406097 -0.0605098), wk = 0.0040000 - k( 311) = ( 0.3500000 0.1406458 0.0369419), wk = 0.0040000 - k( 312) = ( 0.3500000 0.1406458 0.1370123), wk = 0.0040000 - k( 313) = ( 0.3500000 0.1406458 0.2370827), wk = 0.0040000 - k( 314) = ( 0.3500000 0.1406458 0.3371531), wk = 0.0040000 - k( 315) = ( 0.3500000 0.1406458 0.4372235), wk = 0.0040000 - k( 316) = ( 0.3500000 0.1406458 -0.4634100), wk = 0.0040000 - k( 317) = ( 0.3500000 0.1406458 -0.3633396), wk = 0.0040000 - k( 318) = ( 0.3500000 0.1406458 -0.2632692), wk = 0.0040000 - k( 319) = ( 0.3500000 0.1406458 -0.1631988), wk = 0.0040000 - k( 320) = ( 0.3500000 0.1406458 -0.0631285), wk = 0.0040000 - k( 321) = ( 0.3500000 0.2406820 0.0343233), wk = 0.0040000 - k( 322) = ( 0.3500000 0.2406820 0.1343937), wk = 0.0040000 - k( 323) = ( 0.3500000 0.2406820 0.2344641), wk = 0.0040000 - k( 324) = ( 0.3500000 0.2406820 0.3345345), wk = 0.0040000 - k( 325) = ( 0.3500000 0.2406820 0.4346049), wk = 0.0040000 - k( 326) = ( 0.3500000 0.2406820 -0.4660287), wk = 0.0040000 - k( 327) = ( 0.3500000 0.2406820 -0.3659583), wk = 0.0040000 - k( 328) = ( 0.3500000 0.2406820 -0.2658879), wk = 0.0040000 - k( 329) = ( 0.3500000 0.2406820 -0.1658175), wk = 0.0040000 - k( 330) = ( 0.3500000 0.2406820 -0.0657471), wk = 0.0040000 - k( 331) = ( 0.3500000 0.3407181 0.0317046), wk = 0.0040000 - k( 332) = ( 0.3500000 0.3407181 0.1317750), wk = 0.0040000 - k( 333) = ( 0.3500000 0.3407181 0.2318454), wk = 0.0040000 - k( 334) = ( 0.3500000 0.3407181 0.3319158), wk = 0.0040000 - k( 335) = ( 0.3500000 0.3407181 0.4319862), wk = 0.0040000 - k( 336) = ( 0.3500000 0.3407181 -0.4686473), wk = 0.0040000 - k( 337) = ( 0.3500000 0.3407181 -0.3685769), wk = 0.0040000 - k( 338) = ( 0.3500000 0.3407181 -0.2685065), wk = 0.0040000 - k( 339) = ( 0.3500000 0.3407181 -0.1684361), wk = 0.0040000 - k( 340) = ( 0.3500000 0.3407181 -0.0683658), wk = 0.0040000 - k( 341) = ( 0.3500000 0.4407542 0.0290860), wk = 0.0040000 - k( 342) = ( 0.3500000 0.4407542 0.1291564), wk = 0.0040000 - k( 343) = ( 0.3500000 0.4407542 0.2292268), wk = 0.0040000 - k( 344) = ( 0.3500000 0.4407542 0.3292972), wk = 0.0040000 - k( 345) = ( 0.3500000 0.4407542 0.4293676), wk = 0.0040000 - k( 346) = ( 0.3500000 0.4407542 -0.4712660), wk = 0.0040000 - k( 347) = ( 0.3500000 0.4407542 -0.3711956), wk = 0.0040000 - k( 348) = ( 0.3500000 0.4407542 -0.2711252), wk = 0.0040000 - k( 349) = ( 0.3500000 0.4407542 -0.1710548), wk = 0.0040000 - k( 350) = ( 0.3500000 0.4407542 -0.0709844), wk = 0.0040000 - k( 351) = ( 0.3500000 -0.4595709 0.0526538), wk = 0.0040000 - k( 352) = ( 0.3500000 -0.4595709 0.1527242), wk = 0.0040000 - k( 353) = ( 0.3500000 -0.4595709 0.2527946), wk = 0.0040000 - k( 354) = ( 0.3500000 -0.4595709 0.3528650), wk = 0.0040000 - k( 355) = ( 0.3500000 -0.4595709 0.4529354), wk = 0.0040000 - k( 356) = ( 0.3500000 -0.4595709 -0.4476981), wk = 0.0040000 - k( 357) = ( 0.3500000 -0.4595709 -0.3476277), wk = 0.0040000 - k( 358) = ( 0.3500000 -0.4595709 -0.2475573), wk = 0.0040000 - k( 359) = ( 0.3500000 -0.4595709 -0.1474869), wk = 0.0040000 - k( 360) = ( 0.3500000 -0.4595709 -0.0474165), wk = 0.0040000 - k( 361) = ( 0.3500000 -0.3595348 0.0500352), wk = 0.0040000 - k( 362) = ( 0.3500000 -0.3595348 0.1501056), wk = 0.0040000 - k( 363) = ( 0.3500000 -0.3595348 0.2501760), wk = 0.0040000 - k( 364) = ( 0.3500000 -0.3595348 0.3502464), wk = 0.0040000 - k( 365) = ( 0.3500000 -0.3595348 0.4503168), wk = 0.0040000 - k( 366) = ( 0.3500000 -0.3595348 -0.4503168), wk = 0.0040000 - k( 367) = ( 0.3500000 -0.3595348 -0.3502464), wk = 0.0040000 - k( 368) = ( 0.3500000 -0.3595348 -0.2501760), wk = 0.0040000 - k( 369) = ( 0.3500000 -0.3595348 -0.1501056), wk = 0.0040000 - k( 370) = ( 0.3500000 -0.3595348 -0.0500352), wk = 0.0040000 - k( 371) = ( 0.3500000 -0.2594986 0.0474165), wk = 0.0040000 - k( 372) = ( 0.3500000 -0.2594986 0.1474869), wk = 0.0040000 - k( 373) = ( 0.3500000 -0.2594986 0.2475573), wk = 0.0040000 - k( 374) = ( 0.3500000 -0.2594986 0.3476277), wk = 0.0040000 - k( 375) = ( 0.3500000 -0.2594986 0.4476981), wk = 0.0040000 - k( 376) = ( 0.3500000 -0.2594986 -0.4529354), wk = 0.0040000 - k( 377) = ( 0.3500000 -0.2594986 -0.3528650), wk = 0.0040000 - k( 378) = ( 0.3500000 -0.2594986 -0.2527946), wk = 0.0040000 - k( 379) = ( 0.3500000 -0.2594986 -0.1527242), wk = 0.0040000 - k( 380) = ( 0.3500000 -0.2594986 -0.0526538), wk = 0.0040000 - k( 381) = ( 0.3500000 -0.1594625 0.0447979), wk = 0.0040000 - k( 382) = ( 0.3500000 -0.1594625 0.1448683), wk = 0.0040000 - k( 383) = ( 0.3500000 -0.1594625 0.2449387), wk = 0.0040000 - k( 384) = ( 0.3500000 -0.1594625 0.3450091), wk = 0.0040000 - k( 385) = ( 0.3500000 -0.1594625 0.4450795), wk = 0.0040000 - k( 386) = ( 0.3500000 -0.1594625 -0.4555541), wk = 0.0040000 - k( 387) = ( 0.3500000 -0.1594625 -0.3554837), wk = 0.0040000 - k( 388) = ( 0.3500000 -0.1594625 -0.2554133), wk = 0.0040000 - k( 389) = ( 0.3500000 -0.1594625 -0.1553429), wk = 0.0040000 - k( 390) = ( 0.3500000 -0.1594625 -0.0552725), wk = 0.0040000 - k( 391) = ( 0.3500000 -0.0594264 0.0421792), wk = 0.0040000 - k( 392) = ( 0.3500000 -0.0594264 0.1422496), wk = 0.0040000 - k( 393) = ( 0.3500000 -0.0594264 0.2423200), wk = 0.0040000 - k( 394) = ( 0.3500000 -0.0594264 0.3423904), wk = 0.0040000 - k( 395) = ( 0.3500000 -0.0594264 0.4424608), wk = 0.0040000 - k( 396) = ( 0.3500000 -0.0594264 -0.4581727), wk = 0.0040000 - k( 397) = ( 0.3500000 -0.0594264 -0.3581023), wk = 0.0040000 - k( 398) = ( 0.3500000 -0.0594264 -0.2580319), wk = 0.0040000 - k( 399) = ( 0.3500000 -0.0594264 -0.1579615), wk = 0.0040000 - k( 400) = ( 0.3500000 -0.0594264 -0.0578911), wk = 0.0040000 - k( 401) = ( 0.4500000 0.0379216 0.0369419), wk = 0.0040000 - k( 402) = ( 0.4500000 0.0379216 0.1370123), wk = 0.0040000 - k( 403) = ( 0.4500000 0.0379216 0.2370827), wk = 0.0040000 - k( 404) = ( 0.4500000 0.0379216 0.3371531), wk = 0.0040000 - k( 405) = ( 0.4500000 0.0379216 0.4372235), wk = 0.0040000 - k( 406) = ( 0.4500000 0.0379216 -0.4634100), wk = 0.0040000 - k( 407) = ( 0.4500000 0.0379216 -0.3633396), wk = 0.0040000 - k( 408) = ( 0.4500000 0.0379216 -0.2632692), wk = 0.0040000 - k( 409) = ( 0.4500000 0.0379216 -0.1631988), wk = 0.0040000 - k( 410) = ( 0.4500000 0.0379216 -0.0631285), wk = 0.0040000 - k( 411) = ( 0.4500000 0.1379577 0.0343233), wk = 0.0040000 - k( 412) = ( 0.4500000 0.1379577 0.1343937), wk = 0.0040000 - k( 413) = ( 0.4500000 0.1379577 0.2344641), wk = 0.0040000 - k( 414) = ( 0.4500000 0.1379577 0.3345345), wk = 0.0040000 - k( 415) = ( 0.4500000 0.1379577 0.4346049), wk = 0.0040000 - k( 416) = ( 0.4500000 0.1379577 -0.4660287), wk = 0.0040000 - k( 417) = ( 0.4500000 0.1379577 -0.3659583), wk = 0.0040000 - k( 418) = ( 0.4500000 0.1379577 -0.2658879), wk = 0.0040000 - k( 419) = ( 0.4500000 0.1379577 -0.1658175), wk = 0.0040000 - k( 420) = ( 0.4500000 0.1379577 -0.0657471), wk = 0.0040000 - k( 421) = ( 0.4500000 0.2379939 0.0317046), wk = 0.0040000 - k( 422) = ( 0.4500000 0.2379939 0.1317750), wk = 0.0040000 - k( 423) = ( 0.4500000 0.2379939 0.2318454), wk = 0.0040000 - k( 424) = ( 0.4500000 0.2379939 0.3319158), wk = 0.0040000 - k( 425) = ( 0.4500000 0.2379939 0.4319862), wk = 0.0040000 - k( 426) = ( 0.4500000 0.2379939 -0.4686473), wk = 0.0040000 - k( 427) = ( 0.4500000 0.2379939 -0.3685769), wk = 0.0040000 - k( 428) = ( 0.4500000 0.2379939 -0.2685065), wk = 0.0040000 - k( 429) = ( 0.4500000 0.2379939 -0.1684361), wk = 0.0040000 - k( 430) = ( 0.4500000 0.2379939 -0.0683658), wk = 0.0040000 - k( 431) = ( 0.4500000 0.3380300 0.0290860), wk = 0.0040000 - k( 432) = ( 0.4500000 0.3380300 0.1291564), wk = 0.0040000 - k( 433) = ( 0.4500000 0.3380300 0.2292268), wk = 0.0040000 - k( 434) = ( 0.4500000 0.3380300 0.3292972), wk = 0.0040000 - k( 435) = ( 0.4500000 0.3380300 0.4293676), wk = 0.0040000 - k( 436) = ( 0.4500000 0.3380300 -0.4712660), wk = 0.0040000 - k( 437) = ( 0.4500000 0.3380300 -0.3711956), wk = 0.0040000 - k( 438) = ( 0.4500000 0.3380300 -0.2711252), wk = 0.0040000 - k( 439) = ( 0.4500000 0.3380300 -0.1710548), wk = 0.0040000 - k( 440) = ( 0.4500000 0.3380300 -0.0709844), wk = 0.0040000 - k( 441) = ( 0.4500000 0.4380661 0.0264673), wk = 0.0040000 - k( 442) = ( 0.4500000 0.4380661 0.1265377), wk = 0.0040000 - k( 443) = ( 0.4500000 0.4380661 0.2266081), wk = 0.0040000 - k( 444) = ( 0.4500000 0.4380661 0.3266785), wk = 0.0040000 - k( 445) = ( 0.4500000 0.4380661 0.4267489), wk = 0.0040000 - k( 446) = ( 0.4500000 0.4380661 -0.4738846), wk = 0.0040000 - k( 447) = ( 0.4500000 0.4380661 -0.3738142), wk = 0.0040000 - k( 448) = ( 0.4500000 0.4380661 -0.2737438), wk = 0.0040000 - k( 449) = ( 0.4500000 0.4380661 -0.1736734), wk = 0.0040000 - k( 450) = ( 0.4500000 0.4380661 -0.0736031), wk = 0.0040000 - k( 451) = ( 0.4500000 -0.4622590 0.0500352), wk = 0.0040000 - k( 452) = ( 0.4500000 -0.4622590 0.1501056), wk = 0.0040000 - k( 453) = ( 0.4500000 -0.4622590 0.2501760), wk = 0.0040000 - k( 454) = ( 0.4500000 -0.4622590 0.3502464), wk = 0.0040000 - k( 455) = ( 0.4500000 -0.4622590 0.4503168), wk = 0.0040000 - k( 456) = ( 0.4500000 -0.4622590 -0.4503168), wk = 0.0040000 - k( 457) = ( 0.4500000 -0.4622590 -0.3502464), wk = 0.0040000 - k( 458) = ( 0.4500000 -0.4622590 -0.2501760), wk = 0.0040000 - k( 459) = ( 0.4500000 -0.4622590 -0.1501056), wk = 0.0040000 - k( 460) = ( 0.4500000 -0.4622590 -0.0500352), wk = 0.0040000 - k( 461) = ( 0.4500000 -0.3622229 0.0474165), wk = 0.0040000 - k( 462) = ( 0.4500000 -0.3622229 0.1474869), wk = 0.0040000 - k( 463) = ( 0.4500000 -0.3622229 0.2475573), wk = 0.0040000 - k( 464) = ( 0.4500000 -0.3622229 0.3476277), wk = 0.0040000 - k( 465) = ( 0.4500000 -0.3622229 0.4476981), wk = 0.0040000 - k( 466) = ( 0.4500000 -0.3622229 -0.4529354), wk = 0.0040000 - k( 467) = ( 0.4500000 -0.3622229 -0.3528650), wk = 0.0040000 - k( 468) = ( 0.4500000 -0.3622229 -0.2527946), wk = 0.0040000 - k( 469) = ( 0.4500000 -0.3622229 -0.1527242), wk = 0.0040000 - k( 470) = ( 0.4500000 -0.3622229 -0.0526538), wk = 0.0040000 - k( 471) = ( 0.4500000 -0.2621867 0.0447979), wk = 0.0040000 - k( 472) = ( 0.4500000 -0.2621867 0.1448683), wk = 0.0040000 - k( 473) = ( 0.4500000 -0.2621867 0.2449387), wk = 0.0040000 - k( 474) = ( 0.4500000 -0.2621867 0.3450091), wk = 0.0040000 - k( 475) = ( 0.4500000 -0.2621867 0.4450795), wk = 0.0040000 - k( 476) = ( 0.4500000 -0.2621867 -0.4555541), wk = 0.0040000 - k( 477) = ( 0.4500000 -0.2621867 -0.3554837), wk = 0.0040000 - k( 478) = ( 0.4500000 -0.2621867 -0.2554133), wk = 0.0040000 - k( 479) = ( 0.4500000 -0.2621867 -0.1553429), wk = 0.0040000 - k( 480) = ( 0.4500000 -0.2621867 -0.0552725), wk = 0.0040000 - k( 481) = ( 0.4500000 -0.1621506 0.0421792), wk = 0.0040000 - k( 482) = ( 0.4500000 -0.1621506 0.1422496), wk = 0.0040000 - k( 483) = ( 0.4500000 -0.1621506 0.2423200), wk = 0.0040000 - k( 484) = ( 0.4500000 -0.1621506 0.3423904), wk = 0.0040000 - k( 485) = ( 0.4500000 -0.1621506 0.4424608), wk = 0.0040000 - k( 486) = ( 0.4500000 -0.1621506 -0.4581727), wk = 0.0040000 - k( 487) = ( 0.4500000 -0.1621506 -0.3581023), wk = 0.0040000 - k( 488) = ( 0.4500000 -0.1621506 -0.2580319), wk = 0.0040000 - k( 489) = ( 0.4500000 -0.1621506 -0.1579615), wk = 0.0040000 - k( 490) = ( 0.4500000 -0.1621506 -0.0578911), wk = 0.0040000 - k( 491) = ( 0.4500000 -0.0621145 0.0395606), wk = 0.0040000 - k( 492) = ( 0.4500000 -0.0621145 0.1396310), wk = 0.0040000 - k( 493) = ( 0.4500000 -0.0621145 0.2397014), wk = 0.0040000 - k( 494) = ( 0.4500000 -0.0621145 0.3397718), wk = 0.0040000 - k( 495) = ( 0.4500000 -0.0621145 0.4398422), wk = 0.0040000 - k( 496) = ( 0.4500000 -0.0621145 -0.4607914), wk = 0.0040000 - k( 497) = ( 0.4500000 -0.0621145 -0.3607210), wk = 0.0040000 - k( 498) = ( 0.4500000 -0.0621145 -0.2606506), wk = 0.0040000 - k( 499) = ( 0.4500000 -0.0621145 -0.1605802), wk = 0.0040000 - k( 500) = ( 0.4500000 -0.0621145 -0.0605098), wk = 0.0040000 - - cryst. coord. - k( 1) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0040000 - k( 2) = ( 0.0500000 0.0500000 0.1500000), wk = 0.0040000 - k( 3) = ( 0.0500000 0.0500000 0.2500000), wk = 0.0040000 - k( 4) = ( 0.0500000 0.0500000 0.3500000), wk = 0.0040000 - k( 5) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0040000 - k( 6) = ( 0.0500000 0.0500000 -0.4500000), wk = 0.0040000 - k( 7) = ( 0.0500000 0.0500000 -0.3500000), wk = 0.0040000 - k( 8) = ( 0.0500000 0.0500000 -0.2500000), wk = 0.0040000 - k( 9) = ( 0.0500000 0.0500000 -0.1500000), wk = 0.0040000 - k( 10) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0040000 - k( 11) = ( 0.0500000 0.1500000 0.0500000), wk = 0.0040000 - k( 12) = ( 0.0500000 0.1500000 0.1500000), wk = 0.0040000 - k( 13) = ( 0.0500000 0.1500000 0.2500000), wk = 0.0040000 - k( 14) = ( 0.0500000 0.1500000 0.3500000), wk = 0.0040000 - k( 15) = ( 0.0500000 0.1500000 0.4500000), wk = 0.0040000 - k( 16) = ( 0.0500000 0.1500000 -0.4500000), wk = 0.0040000 - k( 17) = ( 0.0500000 0.1500000 -0.3500000), wk = 0.0040000 - k( 18) = ( 0.0500000 0.1500000 -0.2500000), wk = 0.0040000 - k( 19) = ( 0.0500000 0.1500000 -0.1500000), wk = 0.0040000 - k( 20) = ( 0.0500000 0.1500000 -0.0500000), wk = 0.0040000 - k( 21) = ( 0.0500000 0.2500000 0.0500000), wk = 0.0040000 - k( 22) = ( 0.0500000 0.2500000 0.1500000), wk = 0.0040000 - k( 23) = ( 0.0500000 0.2500000 0.2500000), wk = 0.0040000 - k( 24) = ( 0.0500000 0.2500000 0.3500000), wk = 0.0040000 - k( 25) = ( 0.0500000 0.2500000 0.4500000), wk = 0.0040000 - k( 26) = ( 0.0500000 0.2500000 -0.4500000), wk = 0.0040000 - k( 27) = ( 0.0500000 0.2500000 -0.3500000), wk = 0.0040000 - k( 28) = ( 0.0500000 0.2500000 -0.2500000), wk = 0.0040000 - k( 29) = ( 0.0500000 0.2500000 -0.1500000), wk = 0.0040000 - k( 30) = ( 0.0500000 0.2500000 -0.0500000), wk = 0.0040000 - k( 31) = ( 0.0500000 0.3500000 0.0500000), wk = 0.0040000 - k( 32) = ( 0.0500000 0.3500000 0.1500000), wk = 0.0040000 - k( 33) = ( 0.0500000 0.3500000 0.2500000), wk = 0.0040000 - k( 34) = ( 0.0500000 0.3500000 0.3500000), wk = 0.0040000 - k( 35) = ( 0.0500000 0.3500000 0.4500000), wk = 0.0040000 - k( 36) = ( 0.0500000 0.3500000 -0.4500000), wk = 0.0040000 - k( 37) = ( 0.0500000 0.3500000 -0.3500000), wk = 0.0040000 - k( 38) = ( 0.0500000 0.3500000 -0.2500000), wk = 0.0040000 - k( 39) = ( 0.0500000 0.3500000 -0.1500000), wk = 0.0040000 - k( 40) = ( 0.0500000 0.3500000 -0.0500000), wk = 0.0040000 - k( 41) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0040000 - k( 42) = ( 0.0500000 0.4500000 0.1500000), wk = 0.0040000 - k( 43) = ( 0.0500000 0.4500000 0.2500000), wk = 0.0040000 - k( 44) = ( 0.0500000 0.4500000 0.3500000), wk = 0.0040000 - k( 45) = ( 0.0500000 0.4500000 0.4500000), wk = 0.0040000 - k( 46) = ( 0.0500000 0.4500000 -0.4500000), wk = 0.0040000 - k( 47) = ( 0.0500000 0.4500000 -0.3500000), wk = 0.0040000 - k( 48) = ( 0.0500000 0.4500000 -0.2500000), wk = 0.0040000 - k( 49) = ( 0.0500000 0.4500000 -0.1500000), wk = 0.0040000 - k( 50) = ( 0.0500000 0.4500000 -0.0500000), wk = 0.0040000 - k( 51) = ( 0.0500000 -0.4500000 0.0500000), wk = 0.0040000 - k( 52) = ( 0.0500000 -0.4500000 0.1500000), wk = 0.0040000 - k( 53) = ( 0.0500000 -0.4500000 0.2500000), wk = 0.0040000 - k( 54) = ( 0.0500000 -0.4500000 0.3500000), wk = 0.0040000 - k( 55) = ( 0.0500000 -0.4500000 0.4500000), wk = 0.0040000 - k( 56) = ( 0.0500000 -0.4500000 -0.4500000), wk = 0.0040000 - k( 57) = ( 0.0500000 -0.4500000 -0.3500000), wk = 0.0040000 - k( 58) = ( 0.0500000 -0.4500000 -0.2500000), wk = 0.0040000 - k( 59) = ( 0.0500000 -0.4500000 -0.1500000), wk = 0.0040000 - k( 60) = ( 0.0500000 -0.4500000 -0.0500000), wk = 0.0040000 - k( 61) = ( 0.0500000 -0.3500000 0.0500000), wk = 0.0040000 - k( 62) = ( 0.0500000 -0.3500000 0.1500000), wk = 0.0040000 - k( 63) = ( 0.0500000 -0.3500000 0.2500000), wk = 0.0040000 - k( 64) = ( 0.0500000 -0.3500000 0.3500000), wk = 0.0040000 - k( 65) = ( 0.0500000 -0.3500000 0.4500000), wk = 0.0040000 - k( 66) = ( 0.0500000 -0.3500000 -0.4500000), wk = 0.0040000 - k( 67) = ( 0.0500000 -0.3500000 -0.3500000), wk = 0.0040000 - k( 68) = ( 0.0500000 -0.3500000 -0.2500000), wk = 0.0040000 - k( 69) = ( 0.0500000 -0.3500000 -0.1500000), wk = 0.0040000 - k( 70) = ( 0.0500000 -0.3500000 -0.0500000), wk = 0.0040000 - k( 71) = ( 0.0500000 -0.2500000 0.0500000), wk = 0.0040000 - k( 72) = ( 0.0500000 -0.2500000 0.1500000), wk = 0.0040000 - k( 73) = ( 0.0500000 -0.2500000 0.2500000), wk = 0.0040000 - k( 74) = ( 0.0500000 -0.2500000 0.3500000), wk = 0.0040000 - k( 75) = ( 0.0500000 -0.2500000 0.4500000), wk = 0.0040000 - k( 76) = ( 0.0500000 -0.2500000 -0.4500000), wk = 0.0040000 - k( 77) = ( 0.0500000 -0.2500000 -0.3500000), wk = 0.0040000 - k( 78) = ( 0.0500000 -0.2500000 -0.2500000), wk = 0.0040000 - k( 79) = ( 0.0500000 -0.2500000 -0.1500000), wk = 0.0040000 - k( 80) = ( 0.0500000 -0.2500000 -0.0500000), wk = 0.0040000 - k( 81) = ( 0.0500000 -0.1500000 0.0500000), wk = 0.0040000 - k( 82) = ( 0.0500000 -0.1500000 0.1500000), wk = 0.0040000 - k( 83) = ( 0.0500000 -0.1500000 0.2500000), wk = 0.0040000 - k( 84) = ( 0.0500000 -0.1500000 0.3500000), wk = 0.0040000 - k( 85) = ( 0.0500000 -0.1500000 0.4500000), wk = 0.0040000 - k( 86) = ( 0.0500000 -0.1500000 -0.4500000), wk = 0.0040000 - k( 87) = ( 0.0500000 -0.1500000 -0.3500000), wk = 0.0040000 - k( 88) = ( 0.0500000 -0.1500000 -0.2500000), wk = 0.0040000 - k( 89) = ( 0.0500000 -0.1500000 -0.1500000), wk = 0.0040000 - k( 90) = ( 0.0500000 -0.1500000 -0.0500000), wk = 0.0040000 - k( 91) = ( 0.0500000 -0.0500000 0.0500000), wk = 0.0040000 - k( 92) = ( 0.0500000 -0.0500000 0.1500000), wk = 0.0040000 - k( 93) = ( 0.0500000 -0.0500000 0.2500000), wk = 0.0040000 - k( 94) = ( 0.0500000 -0.0500000 0.3500000), wk = 0.0040000 - k( 95) = ( 0.0500000 -0.0500000 0.4500000), wk = 0.0040000 - k( 96) = ( 0.0500000 -0.0500000 -0.4500000), wk = 0.0040000 - k( 97) = ( 0.0500000 -0.0500000 -0.3500000), wk = 0.0040000 - k( 98) = ( 0.0500000 -0.0500000 -0.2500000), wk = 0.0040000 - k( 99) = ( 0.0500000 -0.0500000 -0.1500000), wk = 0.0040000 - k( 100) = ( 0.0500000 -0.0500000 -0.0500000), wk = 0.0040000 - k( 101) = ( 0.1500000 0.0500000 0.0500000), wk = 0.0040000 - k( 102) = ( 0.1500000 0.0500000 0.1500000), wk = 0.0040000 - k( 103) = ( 0.1500000 0.0500000 0.2500000), wk = 0.0040000 - k( 104) = ( 0.1500000 0.0500000 0.3500000), wk = 0.0040000 - k( 105) = ( 0.1500000 0.0500000 0.4500000), wk = 0.0040000 - k( 106) = ( 0.1500000 0.0500000 -0.4500000), wk = 0.0040000 - k( 107) = ( 0.1500000 0.0500000 -0.3500000), wk = 0.0040000 - k( 108) = ( 0.1500000 0.0500000 -0.2500000), wk = 0.0040000 - k( 109) = ( 0.1500000 0.0500000 -0.1500000), wk = 0.0040000 - k( 110) = ( 0.1500000 0.0500000 -0.0500000), wk = 0.0040000 - k( 111) = ( 0.1500000 0.1500000 0.0500000), wk = 0.0040000 - k( 112) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0040000 - k( 113) = ( 0.1500000 0.1500000 0.2500000), wk = 0.0040000 - k( 114) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0040000 - k( 115) = ( 0.1500000 0.1500000 0.4500000), wk = 0.0040000 - k( 116) = ( 0.1500000 0.1500000 -0.4500000), wk = 0.0040000 - k( 117) = ( 0.1500000 0.1500000 -0.3500000), wk = 0.0040000 - k( 118) = ( 0.1500000 0.1500000 -0.2500000), wk = 0.0040000 - k( 119) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0040000 - k( 120) = ( 0.1500000 0.1500000 -0.0500000), wk = 0.0040000 - k( 121) = ( 0.1500000 0.2500000 0.0500000), wk = 0.0040000 - k( 122) = ( 0.1500000 0.2500000 0.1500000), wk = 0.0040000 - k( 123) = ( 0.1500000 0.2500000 0.2500000), wk = 0.0040000 - k( 124) = ( 0.1500000 0.2500000 0.3500000), wk = 0.0040000 - k( 125) = ( 0.1500000 0.2500000 0.4500000), wk = 0.0040000 - k( 126) = ( 0.1500000 0.2500000 -0.4500000), wk = 0.0040000 - k( 127) = ( 0.1500000 0.2500000 -0.3500000), wk = 0.0040000 - k( 128) = ( 0.1500000 0.2500000 -0.2500000), wk = 0.0040000 - k( 129) = ( 0.1500000 0.2500000 -0.1500000), wk = 0.0040000 - k( 130) = ( 0.1500000 0.2500000 -0.0500000), wk = 0.0040000 - k( 131) = ( 0.1500000 0.3500000 0.0500000), wk = 0.0040000 - k( 132) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0040000 - k( 133) = ( 0.1500000 0.3500000 0.2500000), wk = 0.0040000 - k( 134) = ( 0.1500000 0.3500000 0.3500000), wk = 0.0040000 - k( 135) = ( 0.1500000 0.3500000 0.4500000), wk = 0.0040000 - k( 136) = ( 0.1500000 0.3500000 -0.4500000), wk = 0.0040000 - k( 137) = ( 0.1500000 0.3500000 -0.3500000), wk = 0.0040000 - k( 138) = ( 0.1500000 0.3500000 -0.2500000), wk = 0.0040000 - k( 139) = ( 0.1500000 0.3500000 -0.1500000), wk = 0.0040000 - k( 140) = ( 0.1500000 0.3500000 -0.0500000), wk = 0.0040000 - k( 141) = ( 0.1500000 0.4500000 0.0500000), wk = 0.0040000 - k( 142) = ( 0.1500000 0.4500000 0.1500000), wk = 0.0040000 - k( 143) = ( 0.1500000 0.4500000 0.2500000), wk = 0.0040000 - k( 144) = ( 0.1500000 0.4500000 0.3500000), wk = 0.0040000 - k( 145) = ( 0.1500000 0.4500000 0.4500000), wk = 0.0040000 - k( 146) = ( 0.1500000 0.4500000 -0.4500000), wk = 0.0040000 - k( 147) = ( 0.1500000 0.4500000 -0.3500000), wk = 0.0040000 - k( 148) = ( 0.1500000 0.4500000 -0.2500000), wk = 0.0040000 - k( 149) = ( 0.1500000 0.4500000 -0.1500000), wk = 0.0040000 - k( 150) = ( 0.1500000 0.4500000 -0.0500000), wk = 0.0040000 - k( 151) = ( 0.1500000 -0.4500000 0.0500000), wk = 0.0040000 - k( 152) = ( 0.1500000 -0.4500000 0.1500000), wk = 0.0040000 - k( 153) = ( 0.1500000 -0.4500000 0.2500000), wk = 0.0040000 - k( 154) = ( 0.1500000 -0.4500000 0.3500000), wk = 0.0040000 - k( 155) = ( 0.1500000 -0.4500000 0.4500000), wk = 0.0040000 - k( 156) = ( 0.1500000 -0.4500000 -0.4500000), wk = 0.0040000 - k( 157) = ( 0.1500000 -0.4500000 -0.3500000), wk = 0.0040000 - k( 158) = ( 0.1500000 -0.4500000 -0.2500000), wk = 0.0040000 - k( 159) = ( 0.1500000 -0.4500000 -0.1500000), wk = 0.0040000 - k( 160) = ( 0.1500000 -0.4500000 -0.0500000), wk = 0.0040000 - k( 161) = ( 0.1500000 -0.3500000 0.0500000), wk = 0.0040000 - k( 162) = ( 0.1500000 -0.3500000 0.1500000), wk = 0.0040000 - k( 163) = ( 0.1500000 -0.3500000 0.2500000), wk = 0.0040000 - k( 164) = ( 0.1500000 -0.3500000 0.3500000), wk = 0.0040000 - k( 165) = ( 0.1500000 -0.3500000 0.4500000), wk = 0.0040000 - k( 166) = ( 0.1500000 -0.3500000 -0.4500000), wk = 0.0040000 - k( 167) = ( 0.1500000 -0.3500000 -0.3500000), wk = 0.0040000 - k( 168) = ( 0.1500000 -0.3500000 -0.2500000), wk = 0.0040000 - k( 169) = ( 0.1500000 -0.3500000 -0.1500000), wk = 0.0040000 - k( 170) = ( 0.1500000 -0.3500000 -0.0500000), wk = 0.0040000 - k( 171) = ( 0.1500000 -0.2500000 0.0500000), wk = 0.0040000 - k( 172) = ( 0.1500000 -0.2500000 0.1500000), wk = 0.0040000 - k( 173) = ( 0.1500000 -0.2500000 0.2500000), wk = 0.0040000 - k( 174) = ( 0.1500000 -0.2500000 0.3500000), wk = 0.0040000 - k( 175) = ( 0.1500000 -0.2500000 0.4500000), wk = 0.0040000 - k( 176) = ( 0.1500000 -0.2500000 -0.4500000), wk = 0.0040000 - k( 177) = ( 0.1500000 -0.2500000 -0.3500000), wk = 0.0040000 - k( 178) = ( 0.1500000 -0.2500000 -0.2500000), wk = 0.0040000 - k( 179) = ( 0.1500000 -0.2500000 -0.1500000), wk = 0.0040000 - k( 180) = ( 0.1500000 -0.2500000 -0.0500000), wk = 0.0040000 - k( 181) = ( 0.1500000 -0.1500000 0.0500000), wk = 0.0040000 - k( 182) = ( 0.1500000 -0.1500000 0.1500000), wk = 0.0040000 - k( 183) = ( 0.1500000 -0.1500000 0.2500000), wk = 0.0040000 - k( 184) = ( 0.1500000 -0.1500000 0.3500000), wk = 0.0040000 - k( 185) = ( 0.1500000 -0.1500000 0.4500000), wk = 0.0040000 - k( 186) = ( 0.1500000 -0.1500000 -0.4500000), wk = 0.0040000 - k( 187) = ( 0.1500000 -0.1500000 -0.3500000), wk = 0.0040000 - k( 188) = ( 0.1500000 -0.1500000 -0.2500000), wk = 0.0040000 - k( 189) = ( 0.1500000 -0.1500000 -0.1500000), wk = 0.0040000 - k( 190) = ( 0.1500000 -0.1500000 -0.0500000), wk = 0.0040000 - k( 191) = ( 0.1500000 -0.0500000 0.0500000), wk = 0.0040000 - k( 192) = ( 0.1500000 -0.0500000 0.1500000), wk = 0.0040000 - k( 193) = ( 0.1500000 -0.0500000 0.2500000), wk = 0.0040000 - k( 194) = ( 0.1500000 -0.0500000 0.3500000), wk = 0.0040000 - k( 195) = ( 0.1500000 -0.0500000 0.4500000), wk = 0.0040000 - k( 196) = ( 0.1500000 -0.0500000 -0.4500000), wk = 0.0040000 - k( 197) = ( 0.1500000 -0.0500000 -0.3500000), wk = 0.0040000 - k( 198) = ( 0.1500000 -0.0500000 -0.2500000), wk = 0.0040000 - k( 199) = ( 0.1500000 -0.0500000 -0.1500000), wk = 0.0040000 - k( 200) = ( 0.1500000 -0.0500000 -0.0500000), wk = 0.0040000 - k( 201) = ( 0.2500000 0.0500000 0.0500000), wk = 0.0040000 - k( 202) = ( 0.2500000 0.0500000 0.1500000), wk = 0.0040000 - k( 203) = ( 0.2500000 0.0500000 0.2500000), wk = 0.0040000 - k( 204) = ( 0.2500000 0.0500000 0.3500000), wk = 0.0040000 - k( 205) = ( 0.2500000 0.0500000 0.4500000), wk = 0.0040000 - k( 206) = ( 0.2500000 0.0500000 -0.4500000), wk = 0.0040000 - k( 207) = ( 0.2500000 0.0500000 -0.3500000), wk = 0.0040000 - k( 208) = ( 0.2500000 0.0500000 -0.2500000), wk = 0.0040000 - k( 209) = ( 0.2500000 0.0500000 -0.1500000), wk = 0.0040000 - k( 210) = ( 0.2500000 0.0500000 -0.0500000), wk = 0.0040000 - k( 211) = ( 0.2500000 0.1500000 0.0500000), wk = 0.0040000 - k( 212) = ( 0.2500000 0.1500000 0.1500000), wk = 0.0040000 - k( 213) = ( 0.2500000 0.1500000 0.2500000), wk = 0.0040000 - k( 214) = ( 0.2500000 0.1500000 0.3500000), wk = 0.0040000 - k( 215) = ( 0.2500000 0.1500000 0.4500000), wk = 0.0040000 - k( 216) = ( 0.2500000 0.1500000 -0.4500000), wk = 0.0040000 - k( 217) = ( 0.2500000 0.1500000 -0.3500000), wk = 0.0040000 - k( 218) = ( 0.2500000 0.1500000 -0.2500000), wk = 0.0040000 - k( 219) = ( 0.2500000 0.1500000 -0.1500000), wk = 0.0040000 - k( 220) = ( 0.2500000 0.1500000 -0.0500000), wk = 0.0040000 - k( 221) = ( 0.2500000 0.2500000 0.0500000), wk = 0.0040000 - k( 222) = ( 0.2500000 0.2500000 0.1500000), wk = 0.0040000 - k( 223) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040000 - k( 224) = ( 0.2500000 0.2500000 0.3500000), wk = 0.0040000 - k( 225) = ( 0.2500000 0.2500000 0.4500000), wk = 0.0040000 - k( 226) = ( 0.2500000 0.2500000 -0.4500000), wk = 0.0040000 - k( 227) = ( 0.2500000 0.2500000 -0.3500000), wk = 0.0040000 - k( 228) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0040000 - k( 229) = ( 0.2500000 0.2500000 -0.1500000), wk = 0.0040000 - k( 230) = ( 0.2500000 0.2500000 -0.0500000), wk = 0.0040000 - k( 231) = ( 0.2500000 0.3500000 0.0500000), wk = 0.0040000 - k( 232) = ( 0.2500000 0.3500000 0.1500000), wk = 0.0040000 - k( 233) = ( 0.2500000 0.3500000 0.2500000), wk = 0.0040000 - k( 234) = ( 0.2500000 0.3500000 0.3500000), wk = 0.0040000 - k( 235) = ( 0.2500000 0.3500000 0.4500000), wk = 0.0040000 - k( 236) = ( 0.2500000 0.3500000 -0.4500000), wk = 0.0040000 - k( 237) = ( 0.2500000 0.3500000 -0.3500000), wk = 0.0040000 - k( 238) = ( 0.2500000 0.3500000 -0.2500000), wk = 0.0040000 - k( 239) = ( 0.2500000 0.3500000 -0.1500000), wk = 0.0040000 - k( 240) = ( 0.2500000 0.3500000 -0.0500000), wk = 0.0040000 - k( 241) = ( 0.2500000 0.4500000 0.0500000), wk = 0.0040000 - k( 242) = ( 0.2500000 0.4500000 0.1500000), wk = 0.0040000 - k( 243) = ( 0.2500000 0.4500000 0.2500000), wk = 0.0040000 - k( 244) = ( 0.2500000 0.4500000 0.3500000), wk = 0.0040000 - k( 245) = ( 0.2500000 0.4500000 0.4500000), wk = 0.0040000 - k( 246) = ( 0.2500000 0.4500000 -0.4500000), wk = 0.0040000 - k( 247) = ( 0.2500000 0.4500000 -0.3500000), wk = 0.0040000 - k( 248) = ( 0.2500000 0.4500000 -0.2500000), wk = 0.0040000 - k( 249) = ( 0.2500000 0.4500000 -0.1500000), wk = 0.0040000 - k( 250) = ( 0.2500000 0.4500000 -0.0500000), wk = 0.0040000 - k( 251) = ( 0.2500000 -0.4500000 0.0500000), wk = 0.0040000 - k( 252) = ( 0.2500000 -0.4500000 0.1500000), wk = 0.0040000 - k( 253) = ( 0.2500000 -0.4500000 0.2500000), wk = 0.0040000 - k( 254) = ( 0.2500000 -0.4500000 0.3500000), wk = 0.0040000 - k( 255) = ( 0.2500000 -0.4500000 0.4500000), wk = 0.0040000 - k( 256) = ( 0.2500000 -0.4500000 -0.4500000), wk = 0.0040000 - k( 257) = ( 0.2500000 -0.4500000 -0.3500000), wk = 0.0040000 - k( 258) = ( 0.2500000 -0.4500000 -0.2500000), wk = 0.0040000 - k( 259) = ( 0.2500000 -0.4500000 -0.1500000), wk = 0.0040000 - k( 260) = ( 0.2500000 -0.4500000 -0.0500000), wk = 0.0040000 - k( 261) = ( 0.2500000 -0.3500000 0.0500000), wk = 0.0040000 - k( 262) = ( 0.2500000 -0.3500000 0.1500000), wk = 0.0040000 - k( 263) = ( 0.2500000 -0.3500000 0.2500000), wk = 0.0040000 - k( 264) = ( 0.2500000 -0.3500000 0.3500000), wk = 0.0040000 - k( 265) = ( 0.2500000 -0.3500000 0.4500000), wk = 0.0040000 - k( 266) = ( 0.2500000 -0.3500000 -0.4500000), wk = 0.0040000 - k( 267) = ( 0.2500000 -0.3500000 -0.3500000), wk = 0.0040000 - k( 268) = ( 0.2500000 -0.3500000 -0.2500000), wk = 0.0040000 - k( 269) = ( 0.2500000 -0.3500000 -0.1500000), wk = 0.0040000 - k( 270) = ( 0.2500000 -0.3500000 -0.0500000), wk = 0.0040000 - k( 271) = ( 0.2500000 -0.2500000 0.0500000), wk = 0.0040000 - k( 272) = ( 0.2500000 -0.2500000 0.1500000), wk = 0.0040000 - k( 273) = ( 0.2500000 -0.2500000 0.2500000), wk = 0.0040000 - k( 274) = ( 0.2500000 -0.2500000 0.3500000), wk = 0.0040000 - k( 275) = ( 0.2500000 -0.2500000 0.4500000), wk = 0.0040000 - k( 276) = ( 0.2500000 -0.2500000 -0.4500000), wk = 0.0040000 - k( 277) = ( 0.2500000 -0.2500000 -0.3500000), wk = 0.0040000 - k( 278) = ( 0.2500000 -0.2500000 -0.2500000), wk = 0.0040000 - k( 279) = ( 0.2500000 -0.2500000 -0.1500000), wk = 0.0040000 - k( 280) = ( 0.2500000 -0.2500000 -0.0500000), wk = 0.0040000 - k( 281) = ( 0.2500000 -0.1500000 0.0500000), wk = 0.0040000 - k( 282) = ( 0.2500000 -0.1500000 0.1500000), wk = 0.0040000 - k( 283) = ( 0.2500000 -0.1500000 0.2500000), wk = 0.0040000 - k( 284) = ( 0.2500000 -0.1500000 0.3500000), wk = 0.0040000 - k( 285) = ( 0.2500000 -0.1500000 0.4500000), wk = 0.0040000 - k( 286) = ( 0.2500000 -0.1500000 -0.4500000), wk = 0.0040000 - k( 287) = ( 0.2500000 -0.1500000 -0.3500000), wk = 0.0040000 - k( 288) = ( 0.2500000 -0.1500000 -0.2500000), wk = 0.0040000 - k( 289) = ( 0.2500000 -0.1500000 -0.1500000), wk = 0.0040000 - k( 290) = ( 0.2500000 -0.1500000 -0.0500000), wk = 0.0040000 - k( 291) = ( 0.2500000 -0.0500000 0.0500000), wk = 0.0040000 - k( 292) = ( 0.2500000 -0.0500000 0.1500000), wk = 0.0040000 - k( 293) = ( 0.2500000 -0.0500000 0.2500000), wk = 0.0040000 - k( 294) = ( 0.2500000 -0.0500000 0.3500000), wk = 0.0040000 - k( 295) = ( 0.2500000 -0.0500000 0.4500000), wk = 0.0040000 - k( 296) = ( 0.2500000 -0.0500000 -0.4500000), wk = 0.0040000 - k( 297) = ( 0.2500000 -0.0500000 -0.3500000), wk = 0.0040000 - k( 298) = ( 0.2500000 -0.0500000 -0.2500000), wk = 0.0040000 - k( 299) = ( 0.2500000 -0.0500000 -0.1500000), wk = 0.0040000 - k( 300) = ( 0.2500000 -0.0500000 -0.0500000), wk = 0.0040000 - k( 301) = ( 0.3500000 0.0500000 0.0500000), wk = 0.0040000 - k( 302) = ( 0.3500000 0.0500000 0.1500000), wk = 0.0040000 - k( 303) = ( 0.3500000 0.0500000 0.2500000), wk = 0.0040000 - k( 304) = ( 0.3500000 0.0500000 0.3500000), wk = 0.0040000 - k( 305) = ( 0.3500000 0.0500000 0.4500000), wk = 0.0040000 - k( 306) = ( 0.3500000 0.0500000 -0.4500000), wk = 0.0040000 - k( 307) = ( 0.3500000 0.0500000 -0.3500000), wk = 0.0040000 - k( 308) = ( 0.3500000 0.0500000 -0.2500000), wk = 0.0040000 - k( 309) = ( 0.3500000 0.0500000 -0.1500000), wk = 0.0040000 - k( 310) = ( 0.3500000 0.0500000 -0.0500000), wk = 0.0040000 - k( 311) = ( 0.3500000 0.1500000 0.0500000), wk = 0.0040000 - k( 312) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0040000 - k( 313) = ( 0.3500000 0.1500000 0.2500000), wk = 0.0040000 - k( 314) = ( 0.3500000 0.1500000 0.3500000), wk = 0.0040000 - k( 315) = ( 0.3500000 0.1500000 0.4500000), wk = 0.0040000 - k( 316) = ( 0.3500000 0.1500000 -0.4500000), wk = 0.0040000 - k( 317) = ( 0.3500000 0.1500000 -0.3500000), wk = 0.0040000 - k( 318) = ( 0.3500000 0.1500000 -0.2500000), wk = 0.0040000 - k( 319) = ( 0.3500000 0.1500000 -0.1500000), wk = 0.0040000 - k( 320) = ( 0.3500000 0.1500000 -0.0500000), wk = 0.0040000 - k( 321) = ( 0.3500000 0.2500000 0.0500000), wk = 0.0040000 - k( 322) = ( 0.3500000 0.2500000 0.1500000), wk = 0.0040000 - k( 323) = ( 0.3500000 0.2500000 0.2500000), wk = 0.0040000 - k( 324) = ( 0.3500000 0.2500000 0.3500000), wk = 0.0040000 - k( 325) = ( 0.3500000 0.2500000 0.4500000), wk = 0.0040000 - k( 326) = ( 0.3500000 0.2500000 -0.4500000), wk = 0.0040000 - k( 327) = ( 0.3500000 0.2500000 -0.3500000), wk = 0.0040000 - k( 328) = ( 0.3500000 0.2500000 -0.2500000), wk = 0.0040000 - k( 329) = ( 0.3500000 0.2500000 -0.1500000), wk = 0.0040000 - k( 330) = ( 0.3500000 0.2500000 -0.0500000), wk = 0.0040000 - k( 331) = ( 0.3500000 0.3500000 0.0500000), wk = 0.0040000 - k( 332) = ( 0.3500000 0.3500000 0.1500000), wk = 0.0040000 - k( 333) = ( 0.3500000 0.3500000 0.2500000), wk = 0.0040000 - k( 334) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0040000 - k( 335) = ( 0.3500000 0.3500000 0.4500000), wk = 0.0040000 - k( 336) = ( 0.3500000 0.3500000 -0.4500000), wk = 0.0040000 - k( 337) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0040000 - k( 338) = ( 0.3500000 0.3500000 -0.2500000), wk = 0.0040000 - k( 339) = ( 0.3500000 0.3500000 -0.1500000), wk = 0.0040000 - k( 340) = ( 0.3500000 0.3500000 -0.0500000), wk = 0.0040000 - k( 341) = ( 0.3500000 0.4500000 0.0500000), wk = 0.0040000 - k( 342) = ( 0.3500000 0.4500000 0.1500000), wk = 0.0040000 - k( 343) = ( 0.3500000 0.4500000 0.2500000), wk = 0.0040000 - k( 344) = ( 0.3500000 0.4500000 0.3500000), wk = 0.0040000 - k( 345) = ( 0.3500000 0.4500000 0.4500000), wk = 0.0040000 - k( 346) = ( 0.3500000 0.4500000 -0.4500000), wk = 0.0040000 - k( 347) = ( 0.3500000 0.4500000 -0.3500000), wk = 0.0040000 - k( 348) = ( 0.3500000 0.4500000 -0.2500000), wk = 0.0040000 - k( 349) = ( 0.3500000 0.4500000 -0.1500000), wk = 0.0040000 - k( 350) = ( 0.3500000 0.4500000 -0.0500000), wk = 0.0040000 - k( 351) = ( 0.3500000 -0.4500000 0.0500000), wk = 0.0040000 - k( 352) = ( 0.3500000 -0.4500000 0.1500000), wk = 0.0040000 - k( 353) = ( 0.3500000 -0.4500000 0.2500000), wk = 0.0040000 - k( 354) = ( 0.3500000 -0.4500000 0.3500000), wk = 0.0040000 - k( 355) = ( 0.3500000 -0.4500000 0.4500000), wk = 0.0040000 - k( 356) = ( 0.3500000 -0.4500000 -0.4500000), wk = 0.0040000 - k( 357) = ( 0.3500000 -0.4500000 -0.3500000), wk = 0.0040000 - k( 358) = ( 0.3500000 -0.4500000 -0.2500000), wk = 0.0040000 - k( 359) = ( 0.3500000 -0.4500000 -0.1500000), wk = 0.0040000 - k( 360) = ( 0.3500000 -0.4500000 -0.0500000), wk = 0.0040000 - k( 361) = ( 0.3500000 -0.3500000 0.0500000), wk = 0.0040000 - k( 362) = ( 0.3500000 -0.3500000 0.1500000), wk = 0.0040000 - k( 363) = ( 0.3500000 -0.3500000 0.2500000), wk = 0.0040000 - k( 364) = ( 0.3500000 -0.3500000 0.3500000), wk = 0.0040000 - k( 365) = ( 0.3500000 -0.3500000 0.4500000), wk = 0.0040000 - k( 366) = ( 0.3500000 -0.3500000 -0.4500000), wk = 0.0040000 - k( 367) = ( 0.3500000 -0.3500000 -0.3500000), wk = 0.0040000 - k( 368) = ( 0.3500000 -0.3500000 -0.2500000), wk = 0.0040000 - k( 369) = ( 0.3500000 -0.3500000 -0.1500000), wk = 0.0040000 - k( 370) = ( 0.3500000 -0.3500000 -0.0500000), wk = 0.0040000 - k( 371) = ( 0.3500000 -0.2500000 0.0500000), wk = 0.0040000 - k( 372) = ( 0.3500000 -0.2500000 0.1500000), wk = 0.0040000 - k( 373) = ( 0.3500000 -0.2500000 0.2500000), wk = 0.0040000 - k( 374) = ( 0.3500000 -0.2500000 0.3500000), wk = 0.0040000 - k( 375) = ( 0.3500000 -0.2500000 0.4500000), wk = 0.0040000 - k( 376) = ( 0.3500000 -0.2500000 -0.4500000), wk = 0.0040000 - k( 377) = ( 0.3500000 -0.2500000 -0.3500000), wk = 0.0040000 - k( 378) = ( 0.3500000 -0.2500000 -0.2500000), wk = 0.0040000 - k( 379) = ( 0.3500000 -0.2500000 -0.1500000), wk = 0.0040000 - k( 380) = ( 0.3500000 -0.2500000 -0.0500000), wk = 0.0040000 - k( 381) = ( 0.3500000 -0.1500000 0.0500000), wk = 0.0040000 - k( 382) = ( 0.3500000 -0.1500000 0.1500000), wk = 0.0040000 - k( 383) = ( 0.3500000 -0.1500000 0.2500000), wk = 0.0040000 - k( 384) = ( 0.3500000 -0.1500000 0.3500000), wk = 0.0040000 - k( 385) = ( 0.3500000 -0.1500000 0.4500000), wk = 0.0040000 - k( 386) = ( 0.3500000 -0.1500000 -0.4500000), wk = 0.0040000 - k( 387) = ( 0.3500000 -0.1500000 -0.3500000), wk = 0.0040000 - k( 388) = ( 0.3500000 -0.1500000 -0.2500000), wk = 0.0040000 - k( 389) = ( 0.3500000 -0.1500000 -0.1500000), wk = 0.0040000 - k( 390) = ( 0.3500000 -0.1500000 -0.0500000), wk = 0.0040000 - k( 391) = ( 0.3500000 -0.0500000 0.0500000), wk = 0.0040000 - k( 392) = ( 0.3500000 -0.0500000 0.1500000), wk = 0.0040000 - k( 393) = ( 0.3500000 -0.0500000 0.2500000), wk = 0.0040000 - k( 394) = ( 0.3500000 -0.0500000 0.3500000), wk = 0.0040000 - k( 395) = ( 0.3500000 -0.0500000 0.4500000), wk = 0.0040000 - k( 396) = ( 0.3500000 -0.0500000 -0.4500000), wk = 0.0040000 - k( 397) = ( 0.3500000 -0.0500000 -0.3500000), wk = 0.0040000 - k( 398) = ( 0.3500000 -0.0500000 -0.2500000), wk = 0.0040000 - k( 399) = ( 0.3500000 -0.0500000 -0.1500000), wk = 0.0040000 - k( 400) = ( 0.3500000 -0.0500000 -0.0500000), wk = 0.0040000 - k( 401) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0040000 - k( 402) = ( 0.4500000 0.0500000 0.1500000), wk = 0.0040000 - k( 403) = ( 0.4500000 0.0500000 0.2500000), wk = 0.0040000 - k( 404) = ( 0.4500000 0.0500000 0.3500000), wk = 0.0040000 - k( 405) = ( 0.4500000 0.0500000 0.4500000), wk = 0.0040000 - k( 406) = ( 0.4500000 0.0500000 -0.4500000), wk = 0.0040000 - k( 407) = ( 0.4500000 0.0500000 -0.3500000), wk = 0.0040000 - k( 408) = ( 0.4500000 0.0500000 -0.2500000), wk = 0.0040000 - k( 409) = ( 0.4500000 0.0500000 -0.1500000), wk = 0.0040000 - k( 410) = ( 0.4500000 0.0500000 -0.0500000), wk = 0.0040000 - k( 411) = ( 0.4500000 0.1500000 0.0500000), wk = 0.0040000 - k( 412) = ( 0.4500000 0.1500000 0.1500000), wk = 0.0040000 - k( 413) = ( 0.4500000 0.1500000 0.2500000), wk = 0.0040000 - k( 414) = ( 0.4500000 0.1500000 0.3500000), wk = 0.0040000 - k( 415) = ( 0.4500000 0.1500000 0.4500000), wk = 0.0040000 - k( 416) = ( 0.4500000 0.1500000 -0.4500000), wk = 0.0040000 - k( 417) = ( 0.4500000 0.1500000 -0.3500000), wk = 0.0040000 - k( 418) = ( 0.4500000 0.1500000 -0.2500000), wk = 0.0040000 - k( 419) = ( 0.4500000 0.1500000 -0.1500000), wk = 0.0040000 - k( 420) = ( 0.4500000 0.1500000 -0.0500000), wk = 0.0040000 - k( 421) = ( 0.4500000 0.2500000 0.0500000), wk = 0.0040000 - k( 422) = ( 0.4500000 0.2500000 0.1500000), wk = 0.0040000 - k( 423) = ( 0.4500000 0.2500000 0.2500000), wk = 0.0040000 - k( 424) = ( 0.4500000 0.2500000 0.3500000), wk = 0.0040000 - k( 425) = ( 0.4500000 0.2500000 0.4500000), wk = 0.0040000 - k( 426) = ( 0.4500000 0.2500000 -0.4500000), wk = 0.0040000 - k( 427) = ( 0.4500000 0.2500000 -0.3500000), wk = 0.0040000 - k( 428) = ( 0.4500000 0.2500000 -0.2500000), wk = 0.0040000 - k( 429) = ( 0.4500000 0.2500000 -0.1500000), wk = 0.0040000 - k( 430) = ( 0.4500000 0.2500000 -0.0500000), wk = 0.0040000 - k( 431) = ( 0.4500000 0.3500000 0.0500000), wk = 0.0040000 - k( 432) = ( 0.4500000 0.3500000 0.1500000), wk = 0.0040000 - k( 433) = ( 0.4500000 0.3500000 0.2500000), wk = 0.0040000 - k( 434) = ( 0.4500000 0.3500000 0.3500000), wk = 0.0040000 - k( 435) = ( 0.4500000 0.3500000 0.4500000), wk = 0.0040000 - k( 436) = ( 0.4500000 0.3500000 -0.4500000), wk = 0.0040000 - k( 437) = ( 0.4500000 0.3500000 -0.3500000), wk = 0.0040000 - k( 438) = ( 0.4500000 0.3500000 -0.2500000), wk = 0.0040000 - k( 439) = ( 0.4500000 0.3500000 -0.1500000), wk = 0.0040000 - k( 440) = ( 0.4500000 0.3500000 -0.0500000), wk = 0.0040000 - k( 441) = ( 0.4500000 0.4500000 0.0500000), wk = 0.0040000 - k( 442) = ( 0.4500000 0.4500000 0.1500000), wk = 0.0040000 - k( 443) = ( 0.4500000 0.4500000 0.2500000), wk = 0.0040000 - k( 444) = ( 0.4500000 0.4500000 0.3500000), wk = 0.0040000 - k( 445) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0040000 - k( 446) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0040000 - k( 447) = ( 0.4500000 0.4500000 -0.3500000), wk = 0.0040000 - k( 448) = ( 0.4500000 0.4500000 -0.2500000), wk = 0.0040000 - k( 449) = ( 0.4500000 0.4500000 -0.1500000), wk = 0.0040000 - k( 450) = ( 0.4500000 0.4500000 -0.0500000), wk = 0.0040000 - k( 451) = ( 0.4500000 -0.4500000 0.0500000), wk = 0.0040000 - k( 452) = ( 0.4500000 -0.4500000 0.1500000), wk = 0.0040000 - k( 453) = ( 0.4500000 -0.4500000 0.2500000), wk = 0.0040000 - k( 454) = ( 0.4500000 -0.4500000 0.3500000), wk = 0.0040000 - k( 455) = ( 0.4500000 -0.4500000 0.4500000), wk = 0.0040000 - k( 456) = ( 0.4500000 -0.4500000 -0.4500000), wk = 0.0040000 - k( 457) = ( 0.4500000 -0.4500000 -0.3500000), wk = 0.0040000 - k( 458) = ( 0.4500000 -0.4500000 -0.2500000), wk = 0.0040000 - k( 459) = ( 0.4500000 -0.4500000 -0.1500000), wk = 0.0040000 - k( 460) = ( 0.4500000 -0.4500000 -0.0500000), wk = 0.0040000 - k( 461) = ( 0.4500000 -0.3500000 0.0500000), wk = 0.0040000 - k( 462) = ( 0.4500000 -0.3500000 0.1500000), wk = 0.0040000 - k( 463) = ( 0.4500000 -0.3500000 0.2500000), wk = 0.0040000 - k( 464) = ( 0.4500000 -0.3500000 0.3500000), wk = 0.0040000 - k( 465) = ( 0.4500000 -0.3500000 0.4500000), wk = 0.0040000 - k( 466) = ( 0.4500000 -0.3500000 -0.4500000), wk = 0.0040000 - k( 467) = ( 0.4500000 -0.3500000 -0.3500000), wk = 0.0040000 - k( 468) = ( 0.4500000 -0.3500000 -0.2500000), wk = 0.0040000 - k( 469) = ( 0.4500000 -0.3500000 -0.1500000), wk = 0.0040000 - k( 470) = ( 0.4500000 -0.3500000 -0.0500000), wk = 0.0040000 - k( 471) = ( 0.4500000 -0.2500000 0.0500000), wk = 0.0040000 - k( 472) = ( 0.4500000 -0.2500000 0.1500000), wk = 0.0040000 - k( 473) = ( 0.4500000 -0.2500000 0.2500000), wk = 0.0040000 - k( 474) = ( 0.4500000 -0.2500000 0.3500000), wk = 0.0040000 - k( 475) = ( 0.4500000 -0.2500000 0.4500000), wk = 0.0040000 - k( 476) = ( 0.4500000 -0.2500000 -0.4500000), wk = 0.0040000 - k( 477) = ( 0.4500000 -0.2500000 -0.3500000), wk = 0.0040000 - k( 478) = ( 0.4500000 -0.2500000 -0.2500000), wk = 0.0040000 - k( 479) = ( 0.4500000 -0.2500000 -0.1500000), wk = 0.0040000 - k( 480) = ( 0.4500000 -0.2500000 -0.0500000), wk = 0.0040000 - k( 481) = ( 0.4500000 -0.1500000 0.0500000), wk = 0.0040000 - k( 482) = ( 0.4500000 -0.1500000 0.1500000), wk = 0.0040000 - k( 483) = ( 0.4500000 -0.1500000 0.2500000), wk = 0.0040000 - k( 484) = ( 0.4500000 -0.1500000 0.3500000), wk = 0.0040000 - k( 485) = ( 0.4500000 -0.1500000 0.4500000), wk = 0.0040000 - k( 486) = ( 0.4500000 -0.1500000 -0.4500000), wk = 0.0040000 - k( 487) = ( 0.4500000 -0.1500000 -0.3500000), wk = 0.0040000 - k( 488) = ( 0.4500000 -0.1500000 -0.2500000), wk = 0.0040000 - k( 489) = ( 0.4500000 -0.1500000 -0.1500000), wk = 0.0040000 - k( 490) = ( 0.4500000 -0.1500000 -0.0500000), wk = 0.0040000 - k( 491) = ( 0.4500000 -0.0500000 0.0500000), wk = 0.0040000 - k( 492) = ( 0.4500000 -0.0500000 0.1500000), wk = 0.0040000 - k( 493) = ( 0.4500000 -0.0500000 0.2500000), wk = 0.0040000 - k( 494) = ( 0.4500000 -0.0500000 0.3500000), wk = 0.0040000 - k( 495) = ( 0.4500000 -0.0500000 0.4500000), wk = 0.0040000 - k( 496) = ( 0.4500000 -0.0500000 -0.4500000), wk = 0.0040000 - k( 497) = ( 0.4500000 -0.0500000 -0.3500000), wk = 0.0040000 - k( 498) = ( 0.4500000 -0.0500000 -0.2500000), wk = 0.0040000 - k( 499) = ( 0.4500000 -0.0500000 -0.1500000), wk = 0.0040000 - k( 500) = ( 0.4500000 -0.0500000 -0.0500000), wk = 0.0040000 - - Dense grid: 120913 G-vectors FFT dimensions: ( 64, 64, 64) - - Estimated max dynamical RAM per process > 284.58Mb - - Estimated total allocated dynamical RAM > 5691.70Mb - - Initial potential from superposition of free atoms - - starting charge 73.96080, renormalised to 74.00000 - Starting wfc are 41 randomized atomic wfcs + 7 random wfc - - total cpu time spent up to now is 16.1 secs - - per-process dynamical memory: 319.2 Mb - - Self-consistent Calculation - - iteration # 1 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 1.00E-02, avg # of iterations = 5.8 - - Threshold (ethr) on eigenvalues was too large: - Diagonalizing with lowered threshold - - Davidson diagonalization with overlap - ethr = 7.80E-05, avg # of iterations = 6.2 - - total cpu time spent up to now is 146.4 secs - - total energy = -815.44844314 Ry - Harris-Foulkes estimate = -815.46708393 Ry - estimated scf accuracy < 0.05493411 Ry - - iteration # 2 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 7.42E-05, avg # of iterations = 2.1 - - total cpu time spent up to now is 188.9 secs - - total energy = -815.45154024 Ry - Harris-Foulkes estimate = -815.45329212 Ry - estimated scf accuracy < 0.00978785 Ry - - iteration # 3 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 1.32E-05, avg # of iterations = 4.7 - - total cpu time spent up to now is 247.1 secs - - total energy = -815.45260020 Ry - Harris-Foulkes estimate = -815.45237509 Ry - estimated scf accuracy < 0.00198594 Ry - - iteration # 4 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 2.68E-06, avg # of iterations = 3.5 - - total cpu time spent up to now is 298.8 secs - - total energy = -815.45285260 Ry - Harris-Foulkes estimate = -815.45275392 Ry - estimated scf accuracy < 0.00016402 Ry - - iteration # 5 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 2.22E-07, avg # of iterations = 2.0 - - total cpu time spent up to now is 344.2 secs - - total energy = -815.45288274 Ry - Harris-Foulkes estimate = -815.45287389 Ry - estimated scf accuracy < 0.00002667 Ry - - iteration # 6 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 3.60E-08, avg # of iterations = 2.0 - - total cpu time spent up to now is 390.9 secs - - total energy = -815.45288817 Ry - Harris-Foulkes estimate = -815.45288826 Ry - estimated scf accuracy < 0.00000318 Ry - - iteration # 7 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 4.29E-09, avg # of iterations = 2.0 - - total cpu time spent up to now is 436.2 secs - - total energy = -815.45288907 Ry - Harris-Foulkes estimate = -815.45288894 Ry - estimated scf accuracy < 0.00000033 Ry - - iteration # 8 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 4.41E-10, avg # of iterations = 2.0 - - total cpu time spent up to now is 483.6 secs - - total energy = -815.45288916 Ry - Harris-Foulkes estimate = -815.45288914 Ry - estimated scf accuracy < 0.00000002 Ry - - iteration # 9 ecut= 70.00 Ry beta=0.30 - Davidson diagonalization with overlap - ethr = 2.38E-11, avg # of iterations = 2.0 - - total cpu time spent up to now is 531.4 secs - - End of self-consistent calculation - - k = 0.0500 0.0487 0.0474 ( 15118 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2257 -7.4994 -6.6639 -6.6639 - -3.0272 -3.0272 -3.0262 -1.7554 1.2957 1.2957 1.6241 3.5524 - 3.5524 3.7434 3.8133 3.8569 3.8569 8.3611 8.7737 9.1370 - 9.1370 9.2855 9.2855 10.2639 10.2639 10.4133 12.2176 12.2552 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487 0.1475 ( 15140 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2256 -7.4738 -6.6925 -6.6631 - -3.0261 -3.0260 -3.0222 -1.8580 1.3148 1.3492 1.8361 3.4777 - 3.5206 3.7378 3.7567 3.8344 3.8447 8.5659 8.7606 9.1830 - 9.2799 9.2993 9.4214 10.0236 10.3097 10.4038 12.0183 12.3073 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487 0.2476 ( 15134 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2255 -7.4263 -6.7460 -6.6619 - -3.0238 -3.0230 -3.0165 -1.9976 1.3487 1.3793 2.2233 3.3858 - 3.4722 3.6942 3.6973 3.7976 3.8216 8.3499 8.9421 9.1027 - 9.4960 9.5515 9.6774 10.0461 10.4609 10.4629 11.7152 12.4709 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487 0.3476 ( 15129 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3684 -6.8106 -6.6608 - -3.0212 -3.0201 -3.0117 -2.1155 1.3858 1.4071 2.5734 3.3044 - 3.4436 3.6202 3.6311 3.7678 3.9116 7.6105 9.1558 9.4299 - 9.7300 9.7814 10.0202 10.2009 10.6872 10.7938 11.4532 12.0813 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487 0.4477 ( 15126 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3232 -6.8607 -6.6602 - -3.0192 -3.0185 -3.0088 -2.1783 1.4110 1.4206 2.7478 3.2609 - 3.4119 3.5745 3.5795 3.7515 4.1045 7.0602 9.2240 9.8010 - 9.8362 10.0148 10.2700 10.3013 10.9667 11.2437 11.4433 11.5609 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487-0.4529 ( 15122 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3207 -6.8643 -6.6603 - -3.0191 -3.0188 -3.0073 -2.1738 1.4059 1.4126 2.7853 3.2744 - 3.3608 3.5587 3.5776 3.7509 4.1201 7.0599 9.2400 9.8128 - 9.8328 10.0195 10.2687 10.2889 11.0121 11.2873 11.3738 11.6967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487-0.3529 ( 15117 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3632 -6.8188 -6.6611 - -3.0214 -3.0199 -3.0080 -2.1033 1.3621 1.3898 2.6591 3.3460 - 3.3552 3.5703 3.5942 3.7660 3.9566 7.6128 9.1985 9.4344 - 9.7439 9.7839 10.0293 10.2114 10.7712 10.8448 11.3642 12.1879 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487-0.2528 ( 15135 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5835 -19.5834 -19.5789 -16.2255 -7.4212 -6.7547 -6.6623 - -3.0244 -3.0222 -3.0121 -1.9808 1.3025 1.3534 2.3216 3.4338 - 3.4548 3.6029 3.6183 3.7931 3.8764 8.3551 8.9653 9.1534 - 9.4979 9.5029 9.7923 10.0689 10.4708 10.5110 11.6112 12.4054 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487-0.1527 ( 15140 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2256 -7.4704 -6.6989 -6.6634 - -3.0269 -3.0249 -3.0187 -1.8425 1.2486 1.3184 1.9420 3.5183 - 3.5565 3.6458 3.6888 3.8249 3.8718 8.5690 8.7970 9.2040 - 9.2435 9.2996 9.5413 10.0381 10.3030 10.4347 11.8941 12.2600 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.0487-0.0527 ( 15146 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2257 -7.4982 -6.6662 -6.6640 - -3.0278 -3.0268 -3.0246 -1.7488 1.2361 1.2970 1.6837 3.5528 - 3.5871 3.7058 3.7896 3.8507 3.8644 8.3654 8.7891 9.1124 - 9.1359 9.2975 9.3343 10.2613 10.2696 10.4295 12.1133 12.2117 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.1487 0.0448 ( 15140 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2256 -7.4738 -6.6925 -6.6631 - -3.0261 -3.0260 -3.0222 -1.8580 1.3148 1.3492 1.8361 3.4777 - 3.5206 3.7378 3.7567 3.8344 3.8447 8.5659 8.7606 9.1830 - 9.2799 9.2993 9.4214 10.0236 10.3096 10.4038 12.0183 12.3073 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.1487 0.1449 ( 15147 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3134 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2255 -7.4494 -6.7011 -6.6787 - -3.0263 -3.0250 -3.0197 -1.9644 1.3306 1.5264 1.9219 3.3731 - 3.4859 3.7024 3.7605 3.8188 3.8882 8.6808 8.7793 9.1211 - 9.3077 9.4117 9.4845 10.0365 10.2578 10.3940 12.0517 12.2580 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.1487 0.2449 ( 15131 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3134 - 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3.4249 3.5881 3.7331 3.8115 3.9469 7.5767 8.9390 9.4852 - 9.5429 9.8846 10.0576 10.2981 10.7134 10.8720 11.5692 11.8174 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.1487 0.4451 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2986 -6.8586 -6.6810 - -3.0211 -3.0181 -3.0124 -2.2866 1.4109 1.7032 2.6675 3.1598 - 3.4409 3.5107 3.7324 3.7696 4.1384 7.0237 8.9756 9.5651 - 9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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10.0695 10.2641 10.4344 10.6230 11.0248 11.1399 11.2643 11.7136 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.2487-0.4582 ( 15123 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2440 -6.8684 -6.7203 - -3.0239 -3.0190 -3.0121 -2.4315 1.4388 2.0849 2.6338 3.1048 - 3.3564 3.4658 3.6705 3.9430 4.2613 6.9473 8.3061 9.5310 - 10.0558 10.2577 10.4622 10.6123 11.0286 11.2397 11.3745 11.6810 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.2487-0.2580 ( 15135 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2252 -7.3430 -6.7899 -6.7047 - -3.0251 -3.0186 -3.0093 -2.2226 1.3449 1.8018 2.5982 3.0413 - 3.4081 3.5370 3.6919 3.7787 4.0038 8.1242 8.5920 9.3435 - 9.5100 9.7559 9.9447 10.2821 10.6906 10.9561 11.6223 12.0959 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.2487-0.1580 ( 15147 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - 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3.4876 3.6142 3.6886 3.7673 3.8600 8.3552 8.9563 9.1313 - 9.4736 9.5999 9.6882 10.0740 10.4611 10.5067 11.6262 12.4418 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.3488 0.0396 ( 15129 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3684 -6.8106 -6.6608 - -3.0212 -3.0201 -3.0117 -2.1155 1.3858 1.4071 2.5734 3.3044 - 3.4436 3.6202 3.6311 3.7678 3.9116 7.6105 9.1558 9.4299 - 9.7300 9.7814 10.0202 10.2009 10.6872 10.7938 11.4532 12.0813 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.3488-0.2607 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3133 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2840 -6.8332 -6.7188 - -3.0251 -3.0161 -3.0110 -2.3516 1.3839 2.0073 2.7200 2.9673 - 3.3931 3.5113 3.6351 3.8702 4.1077 7.4978 8.3764 9.5309 - 9.7135 9.9961 10.2595 10.5217 10.9241 11.2729 11.5038 11.6076 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.3488-0.1606 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3351 -6.8213 -6.6843 - -3.0235 -3.0167 -3.0098 -2.2037 1.3243 1.6868 2.6687 3.1113 - 3.4323 3.5968 3.6520 3.7236 4.0133 7.5794 9.0198 9.4820 - 9.6309 9.8702 10.0618 10.2956 10.8369 11.0105 11.3607 11.9287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.3488-0.0605 ( 15116 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - 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9.8362 10.0148 10.2700 10.3013 10.9667 11.2437 11.4433 11.5609 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.4488 0.1370 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2986 -6.8586 -6.6810 - -3.0211 -3.0181 -3.0124 -2.2866 1.4109 1.7032 2.6675 3.1598 - 3.4409 3.5107 3.7324 3.7696 4.1384 7.0237 8.9756 9.5651 - 9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.4488 0.2371 ( 15135 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2515 -6.8561 -6.7225 - -3.0236 -3.0198 -3.0142 -2.4397 1.4446 2.1231 2.5648 3.1095 - 3.4162 3.4520 3.6727 3.9781 4.2304 6.9545 8.2752 9.5081 - 10.0695 10.2641 10.4344 10.6230 11.0248 11.1399 11.2643 11.7137 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.4488 0.3372 ( 15139 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1925 -6.8523 -6.7781 - -3.0262 -3.0226 -3.0127 -2.5750 1.4894 2.3976 2.6237 3.0933 - 3.3534 3.4397 3.5886 4.1545 4.3930 6.8689 7.4648 9.5319 - 10.1959 10.4796 10.5643 10.9302 10.9795 11.1726 11.3516 11.8873 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.4488 0.4372 ( 15136 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - 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3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7720 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500 0.4488-0.3633 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2248 -7.1807 -6.8710 -6.7747 - -3.0275 -3.0206 -3.0099 -2.5650 1.4723 2.3754 2.7071 3.0546 - 3.3230 3.4413 3.5668 4.1271 4.4270 6.8423 7.5071 9.5738 - 10.1804 10.4553 10.5652 11.0156 11.0528 11.1984 11.4928 11.8101 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.4515 0.3607 ( 15129 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1837 -6.8707 -6.7708 - -3.0272 -3.0208 -3.0114 -2.5682 1.4841 2.3660 2.6779 3.0878 - 3.3168 3.4379 3.5877 4.1264 4.4242 6.8413 7.5052 9.5508 - 10.1880 10.5001 10.5650 10.8744 11.0074 11.3098 11.5006 11.7416 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.4515 0.4608 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1366 -6.8682 -6.8159 - -3.0284 -3.0227 -3.0099 -2.6472 1.5144 2.3699 2.8840 3.0878 - 3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7720 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.4515-0.4398 ( 15126 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - 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10.1871 10.4464 10.5634 10.8823 11.0562 11.3216 11.4596 11.7967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.4515-0.2397 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2455 -6.8587 -6.7289 - -3.0246 -3.0190 -3.0106 -2.4309 1.4072 2.1632 2.5817 3.1072 - 3.3987 3.4551 3.6181 3.9795 4.2428 6.9566 8.2831 9.5660 - 10.0534 10.2565 10.4258 10.6992 10.9796 11.2353 11.3439 11.6853 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.4515-0.0396 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3209 -6.8628 -6.6617 - -3.0200 -3.0170 -3.0081 -2.1734 1.3226 1.5032 2.7733 3.2279 - 3.4245 3.5608 3.6126 3.7001 4.1188 7.0610 9.2446 9.7757 - 9.8713 10.0252 10.2790 10.2990 10.9827 11.2952 11.3719 11.6287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.3515 0.0579 ( 15117 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3632 -6.8188 -6.6611 - -3.0214 -3.0199 -3.0080 -2.1033 1.3621 1.3898 2.6591 3.3460 - 3.3552 3.5703 3.5942 3.7660 3.9566 7.6128 9.1985 9.4344 - 9.7439 9.7839 10.0293 10.2114 10.7712 10.8448 11.3642 12.1879 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.3515 0.1580 ( 15120 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2252 -7.3347 -6.8247 -6.6810 - -3.0225 -3.0196 -3.0081 -2.2043 1.3690 1.6247 2.6927 3.1535 - 3.3574 3.5493 3.6910 3.7616 4.0134 7.5776 9.0167 9.5151 - 9.5791 9.8853 10.0412 10.2829 10.8531 11.0144 11.4114 11.9478 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.3515 0.2580 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2250 -7.2846 -6.8353 -6.7157 - -3.0244 -3.0182 -3.0102 -2.3532 1.4014 1.9784 2.7147 3.0139 - 3.3391 3.5006 3.6781 3.8704 4.1070 7.4961 8.3750 9.5170 - 9.7092 10.0096 10.2498 10.4886 10.9407 11.2663 11.5214 11.6410 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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- k = 0.0500-0.2514 0.0553 ( 15135 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5835 -19.5834 -19.5789 -16.2255 -7.4212 -6.7547 -6.6623 - -3.0244 -3.0222 -3.0121 -1.9808 1.3025 1.3534 2.3216 3.4338 - 3.4548 3.6029 3.6183 3.7931 3.8764 8.3551 8.9653 9.1534 - 9.4979 9.5029 9.7923 10.0689 10.4708 10.5110 11.6112 12.4054 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514 0.1553 ( 15138 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - 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9.5100 9.7559 9.9447 10.2821 10.6906 10.9561 11.6223 12.0959 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514 0.3555 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3133 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2840 -6.8332 -6.7188 - -3.0251 -3.0161 -3.0110 -2.3516 1.3839 2.0073 2.7200 2.9673 - 3.3931 3.5113 3.6351 3.8702 4.1077 7.4978 8.3764 9.5309 - 9.7135 9.9961 10.2595 10.5217 10.9241 11.2729 11.5038 11.6076 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514 0.4556 ( 15131 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2411 -6.8681 -6.7253 - -3.0250 -3.0168 -3.0112 -2.4266 1.4099 2.1249 2.6479 3.0479 - 3.4226 3.4687 3.6055 3.9441 4.2660 6.9496 8.3105 9.5708 - 10.0405 10.2316 10.4719 10.7004 11.0886 11.1641 11.4131 11.5876 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514-0.4451 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2455 -6.8587 -6.7289 - -3.0246 -3.0190 -3.0106 -2.4309 1.4072 2.1632 2.5817 3.1072 - 3.3987 3.4551 3.6181 3.9795 4.2428 6.9566 8.2831 9.5660 - 10.0534 10.2565 10.4258 10.6992 10.9796 11.2353 11.3439 11.6854 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514-0.3450 ( 15146 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2929 -6.8092 -6.7306 - -3.0237 -3.0211 -3.0108 -2.3631 1.3751 2.1189 2.5124 3.1299 - 3.3671 3.4712 3.6474 3.9701 4.0508 7.5223 8.2891 9.5141 - 9.7294 10.0447 10.1720 10.5850 10.8237 11.1184 11.4864 11.7324 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514-0.2449 ( 15161 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5836 -19.5835 -19.5789 -16.2252 -7.3511 -6.7598 -6.7225 - -3.0236 -3.0222 -3.0118 -2.2378 1.3277 1.9556 2.3746 3.1526 - 3.4290 3.5074 3.6703 3.8709 3.9802 8.2075 8.4135 9.3196 - 9.5261 9.8274 9.8525 10.4212 10.5176 10.8254 11.7881 12.0072 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514-0.1449 ( 15140 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2254 -7.3981 -6.7488 -6.6881 - -3.0239 -3.0222 -3.0135 -2.0918 1.2835 1.6625 2.2893 3.2631 - 3.4635 3.5981 3.6766 3.8258 3.8991 8.3237 8.9591 9.0861 - 9.4973 9.6281 9.6969 10.1859 10.4529 10.5637 11.7133 12.4134 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.2514-0.0448 ( 15137 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2255 -7.4230 -6.7503 -6.6636 - -3.0241 -3.0221 -3.0141 -1.9864 1.2638 1.4232 2.2786 3.3941 - 3.4876 3.6142 3.6886 3.7673 3.8600 8.3552 8.9563 9.1313 - 9.4736 9.5999 9.6882 10.0740 10.4611 10.5067 11.6262 12.4419 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.1514 0.0527 ( 15140 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2256 -7.4704 -6.6989 -6.6634 - -3.0269 -3.0249 -3.0187 -1.8425 1.2486 1.3184 1.9420 3.5183 - 3.5565 3.6458 3.6888 3.8249 3.8718 8.5690 8.7970 9.2040 - 9.2435 9.2996 9.5413 10.0381 10.3030 10.4347 11.8941 12.2600 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.1514 0.1527 ( 15130 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3138 -39.3134 -39.3133 - 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3.4517 3.6047 3.6904 3.7388 3.9293 8.3175 9.0253 9.1219 - 9.4618 9.6564 9.7210 10.1240 10.5493 10.6099 11.5889 12.3960 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.1514 0.3529 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3351 -6.8213 -6.6843 - -3.0235 -3.0167 -3.0098 -2.2037 1.3243 1.6868 2.6687 3.1113 - 3.4323 3.5968 3.6520 3.7236 4.0133 7.5794 9.0198 9.4820 - 9.6309 9.8702 10.0618 10.2956 10.8369 11.0105 11.3607 11.9287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.7333 9.8254 9.9994 10.2197 10.7493 10.8211 11.3668 12.1358 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.0514 0.4503 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3209 -6.8628 -6.6617 - -3.0200 -3.0170 -3.0081 -2.1734 1.3226 1.5032 2.7733 3.2279 - 3.4245 3.5608 3.6126 3.7001 4.1188 7.0610 9.2446 9.7757 - 9.8713 10.0252 10.2790 10.2990 10.9827 11.2952 11.3718 11.6287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.0514-0.3502 ( 15116 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2253 -7.3649 -6.8148 -6.6624 - -3.0216 -3.0189 -3.0097 -2.1067 1.2987 1.4729 2.6192 3.2952 - 3.4327 3.5867 3.6388 3.7229 3.9444 7.6130 9.1928 9.4191 - 9.7333 9.8254 9.9994 10.2197 10.7493 10.8211 11.3668 12.1358 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.0514-0.2502 ( 15137 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - 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3.5661 3.6612 3.7325 3.8223 3.8592 8.5727 8.7789 9.1708 - 9.2876 9.3249 9.4705 10.0329 10.3094 10.4284 11.9240 12.2784 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.0500-0.0514-0.0500 ( 15146 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2257 -7.4982 -6.6662 -6.6640 - -3.0278 -3.0268 -3.0246 -1.7488 1.2361 1.2970 1.6837 3.5528 - 3.5871 3.7058 3.7896 3.8507 3.8644 8.3654 8.7891 9.1124 - 9.1359 9.2975 9.3343 10.2613 10.2696 10.4295 12.1133 12.2117 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.4249 3.5881 3.7331 3.8115 3.9469 7.5767 8.9390 9.4852 - 9.5429 9.8846 10.0576 10.2981 10.7134 10.8720 11.5692 11.8174 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.0460 0.4451 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2986 -6.8586 -6.6810 - -3.0211 -3.0181 -3.0124 -2.2866 1.4109 1.7032 2.6675 3.1598 - 3.4409 3.5107 3.7324 3.7696 4.1384 7.0237 8.9756 9.5651 - 9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.1460 0.1422 ( 15189 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3134 -39.3134 - -39.3130 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5836 -19.5836 -19.5789 -16.2254 -7.4266 -6.6999 -6.6999 - -3.0272 -3.0272 -3.0169 -2.0740 1.5440 1.5440 1.9622 3.3542 - 3.3542 3.6316 3.8336 3.8849 3.8849 8.6365 8.9198 9.0933 - 9.0933 9.5305 9.5305 10.2143 10.2143 10.3744 12.0756 12.3751 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.1460 0.2423 ( 15156 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5836 -19.5835 -19.5789 -16.2253 -7.3815 -6.7455 -6.6982 - -3.0274 -3.0259 -3.0152 -2.2181 1.5790 1.6871 2.2102 3.2177 - 3.3194 3.6233 3.8464 3.8824 3.9009 8.2751 8.8231 9.1004 - 9.1915 9.6768 9.7523 10.3170 10.5161 10.5336 11.9117 12.2425 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.1460 0.3424 ( 15126 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - 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9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.4461 0.1344 ( 15142 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5836 -19.5789 -16.2250 -7.2770 -6.8560 -6.6960 - -3.0257 -3.0205 -3.0145 -2.3978 1.6511 1.7398 2.6196 3.0439 - 3.3880 3.6009 3.8143 3.8407 4.1506 6.9814 8.8560 9.1587 - 9.8725 10.1586 10.3796 10.5784 11.0081 11.0445 11.2805 11.6356 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.4461 0.3345 ( 15147 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1788 -6.8490 -6.7782 - -3.0322 -3.0290 -3.0192 -2.6888 1.7552 2.4067 2.5973 2.9438 - 3.2311 3.6701 3.7893 4.1590 4.3970 6.8183 7.4156 8.9637 - 9.9246 10.3610 10.5320 10.6519 10.9234 11.3133 11.6037 12.1135 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.4461 0.4346 ( 15155 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - 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3.2062 3.6568 3.7243 4.2394 4.6442 6.6276 6.9472 9.0041 - 9.9594 10.3747 10.6326 10.7304 10.9377 11.5877 11.8983 12.0900 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0001 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500 0.4461-0.3660 ( 15108 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1578 -6.8693 -6.7857 - -3.0332 -3.0272 -3.0127 -2.6717 1.7033 2.4143 2.7413 2.8924 - 3.1508 3.6473 3.7487 4.1348 4.4438 6.7897 7.4600 9.0394 - 9.9233 10.3100 10.5438 10.7492 10.9791 11.4947 11.6820 12.1014 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.9077 10.3341 10.5537 10.6262 11.0799 11.4886 11.7557 12.0385 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.4542-0.2423 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.2165 -6.8608 -6.7474 - -3.0303 -3.0232 -3.0095 -2.5312 1.5912 2.2522 2.6148 2.9274 - 3.2614 3.6018 3.7501 3.9961 4.2697 6.9099 8.2339 9.1158 - 9.8658 10.2095 10.4627 10.7563 11.0280 11.1841 11.6125 11.8053 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.4542-0.0422 ( 15130 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2919 -6.8652 -6.6846 - -3.0222 -3.0146 -3.0109 -2.2749 1.3494 1.7480 2.7329 3.0965 - 3.4451 3.5848 3.6237 3.7361 4.1705 7.0247 9.0112 9.6190 - 9.9073 10.1050 10.3460 10.4294 11.0257 11.2967 11.3934 11.4542 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.3542 0.0553 ( 15120 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - 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3.2162 3.5373 3.7803 3.8366 4.0330 7.5363 8.9198 9.2017 - 9.5651 9.9905 10.0035 10.4051 11.0157 11.0589 11.5213 11.8434 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.3542 0.2554 ( 15113 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2249 -7.2606 -6.8372 -6.7286 - -3.0274 -3.0255 -3.0093 -2.4601 1.6432 1.9860 2.7064 2.9987 - 3.1683 3.5602 3.8445 3.9013 4.1075 7.4491 8.3351 9.0342 - 9.6499 10.0338 10.1584 10.6558 11.0880 11.2397 11.5187 11.8782 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.2585 3.4427 3.7833 3.9432 3.9727 8.1502 8.3961 9.1211 - 9.4366 9.8003 9.8897 10.5546 10.7738 10.9363 11.7506 12.0329 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.2541-0.1475 ( 15135 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2253 -7.3678 -6.7584 -6.7091 - -3.0261 -3.0226 -3.0083 -2.1827 1.3840 1.7344 2.4189 3.1996 - 3.3427 3.4939 3.7497 3.8637 3.9320 8.2801 8.9125 9.1320 - 9.3532 9.6462 9.7938 10.2993 10.5712 10.7012 11.6917 12.3554 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.3427 3.4939 3.7497 3.8637 3.9320 8.2801 8.9125 9.1320 - 9.3532 9.6462 9.7938 10.2993 10.5712 10.7012 11.6917 12.3554 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.1541 0.3502 ( 15124 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2251 -7.3094 -6.8177 -6.7084 - -3.0261 -3.0196 -3.0084 -2.3078 1.4304 1.8615 2.6268 3.0581 - 3.3551 3.5278 3.7402 3.8373 4.0258 7.5439 8.8689 9.2624 - 9.6056 9.8819 10.0850 10.4815 10.9367 11.0488 11.4587 11.7909 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.6433 9.8810 10.0306 10.3362 10.7761 10.9116 11.4607 11.8569 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.0541 0.4477 ( 15130 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2943 -6.8611 -6.6853 - -3.0219 -3.0158 -3.0111 -2.2782 1.3489 1.7625 2.6922 3.1385 - 3.4207 3.5787 3.6357 3.7666 4.1558 7.0259 8.9921 9.6103 - 9.9153 10.1170 10.3290 10.4342 11.0173 11.2460 11.3288 11.5263 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.5120 3.6233 3.6753 3.8013 3.8983 8.6874 8.8153 9.1975 - 9.3050 9.4383 9.5796 10.0505 10.2643 10.4568 11.8046 12.2557 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.1500-0.0541-0.0527 ( 15140 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3142 -39.3139 -39.3139 -39.3133 -39.3133 - -39.3130 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1598 -19.5933 - -19.5933 -19.5835 -19.5835 -19.5789 -16.2256 -7.4704 -6.6989 -6.6634 - -3.0269 -3.0249 -3.0187 -1.8425 1.2486 1.3184 1.9420 3.5183 - 3.5565 3.6458 3.6888 3.8249 3.8718 8.5690 8.7970 9.2040 - 9.2435 9.2996 9.5413 10.0381 10.3030 10.4347 11.8941 12.2600 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.8794 10.2389 10.4549 10.7288 10.9181 11.0298 11.4853 11.8066 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500 0.1433-0.4608 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2249 -7.2233 -6.8677 -6.7295 - -3.0284 -3.0262 -3.0135 -2.5419 1.7016 2.0818 2.6268 2.9756 - 3.2503 3.6162 3.8368 3.9616 4.2661 6.8971 8.2616 9.0078 - 9.8842 10.2629 10.4263 10.7090 11.0057 11.0775 11.5996 11.8850 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.4635 3.5981 3.6766 3.8258 3.8991 8.3237 8.9591 9.0861 - 9.4973 9.6281 9.6969 10.1859 10.4529 10.5637 11.7133 12.4134 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500 0.2434 0.0369 ( 15134 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2252 -7.3572 -6.7595 -6.7123 - -3.0250 -3.0207 -3.0169 -2.2526 1.3850 1.9449 2.3078 3.1367 - 3.4073 3.6014 3.7216 3.8415 3.9835 8.2058 8.3908 9.3239 - 9.4200 9.8142 9.8948 10.3339 10.5157 10.7819 11.9118 11.9774 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.1671 3.8400 3.9543 4.0482 4.2715 6.8235 8.1325 8.2256 - 9.7098 10.2191 10.4954 10.5429 10.7956 11.3060 11.6920 12.0674 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500 0.2434-0.4634 ( 15134 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1831 -6.8667 -6.7526 - -3.0345 -3.0344 -3.0184 -2.6994 2.0947 2.1133 2.6108 2.8725 - 3.1381 3.7960 3.9500 4.0240 4.3125 6.8065 8.1752 8.2482 - 9.7188 10.2495 10.4482 10.5576 10.8867 11.3437 11.8536 11.9398 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.4290 3.5074 3.6703 3.8709 3.9802 8.2075 8.4135 9.3196 - 9.5261 9.8274 9.8525 10.4212 10.5176 10.8254 11.7881 12.0072 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500 0.3434 0.0343 ( 15150 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2997 -6.8065 -6.7224 - -3.0241 -3.0195 -3.0166 -2.3756 1.4211 2.0903 2.4778 3.0975 - 3.3853 3.5341 3.6900 3.9556 4.0440 7.5185 8.2772 9.4566 - 9.6994 10.0429 10.2231 10.5195 10.7502 11.0785 11.4629 11.8094 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.1682 3.9038 3.9508 4.2459 4.7025 6.5248 6.8514 8.1632 - 9.5757 10.2260 10.4098 10.4351 10.9496 11.4668 12.1448 12.3132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0006 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500 0.4434-0.3686 ( 15111 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2246 -7.1204 -6.8658 -6.8030 - -3.0412 -3.0368 -3.0212 -2.8315 2.0621 2.4930 2.7101 2.8321 - 3.0069 3.8680 3.9388 4.1518 4.4919 6.6947 7.3647 8.2336 - 9.6209 10.2045 10.4389 10.5152 10.9258 11.4937 12.0650 12.2033 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.6147 10.2171 10.4063 10.5199 10.9560 11.4959 12.0967 12.2063 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.4569-0.2449 ( 15120 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1704 -6.8631 -6.7745 - -3.0364 -3.0306 -3.0134 -2.6865 1.8638 2.4028 2.6796 2.7771 - 3.0937 3.7769 3.8712 4.0448 4.3363 6.8187 8.0314 8.4657 - 9.7116 10.1803 10.5062 10.6142 10.8961 11.4975 11.8115 12.0762 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.4569-0.0448 ( 15131 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2411 -6.8681 -6.7253 - -3.0250 -3.0168 -3.0112 -2.4266 1.4099 2.1249 2.6479 3.0479 - 3.4226 3.4687 3.6055 3.9441 4.2660 6.9496 8.3105 9.5708 - 10.0405 10.2316 10.4719 10.7004 11.0886 11.1641 11.4131 11.5877 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.3568 0.0527 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3134 - 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3.1683 3.5602 3.8445 3.9013 4.1075 7.4491 8.3351 9.0342 - 9.6499 10.0338 10.1584 10.6558 11.0880 11.2397 11.5187 11.8782 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.3568 0.2528 ( 15118 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2248 -7.2165 -6.8411 -6.7543 - -3.0326 -3.0311 -3.0132 -2.6147 1.9598 2.0746 2.6935 2.9435 - 3.0268 3.6890 3.9462 3.9792 4.1336 7.3562 8.2735 8.2934 - 9.5842 10.1196 10.1306 10.7416 11.1760 11.2362 11.6514 12.1707 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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9.4630 9.8883 9.9868 10.6973 11.1073 11.1211 11.6765 12.2284 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.2568 0.3502 ( 15103 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2248 -7.2147 -6.8263 -6.7727 - -3.0342 -3.0289 -3.0115 -2.6107 1.8206 2.2751 2.6566 2.8861 - 3.0709 3.6634 3.9013 4.0156 4.1347 7.3844 8.0818 8.4934 - 9.5840 10.0472 10.1875 10.7565 11.1541 11.3268 11.6173 12.2068 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.0811 3.5268 3.8891 3.9651 4.0182 7.9418 8.3490 8.5745 - 9.4630 9.8883 9.9868 10.6973 11.1073 11.1211 11.6764 12.2283 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.2568-0.1501 ( 15114 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2251 -7.3175 -6.7899 -6.7245 - -3.0275 -3.0237 -3.0067 -2.3266 1.5349 1.8548 2.6129 3.0475 - 3.2381 3.4877 3.8212 3.8621 4.0021 8.0760 8.5516 9.0662 - 9.4123 9.7812 9.9396 10.4617 10.8432 11.0052 11.7549 12.0731 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.1568 0.0474 ( 15147 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5836 -19.5835 -19.5789 -16.2254 -7.3934 -6.7614 -6.6833 - -3.0251 -3.0202 -3.0108 -2.0794 1.2872 1.5825 2.3991 3.2290 - 3.4517 3.6047 3.6904 3.7388 3.9293 8.3175 9.0253 9.1219 - 9.4618 9.6564 9.7210 10.1240 10.5493 10.6099 11.5889 12.3960 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.1568 0.1475 ( 15135 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3134 - 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3.2585 3.4427 3.7833 3.9432 3.9727 8.1502 8.3961 9.1211 - 9.4366 9.8003 9.8897 10.5546 10.7738 10.9363 11.7506 12.0328 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.1568 0.3476 ( 15133 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2626 -6.8136 -6.7508 - -3.0290 -3.0239 -3.0080 -2.4592 1.5482 2.1809 2.5667 3.0240 - 3.2320 3.5097 3.7779 3.9942 4.0746 7.4801 8.2473 9.1221 - 9.6567 10.0150 10.1333 10.7437 11.0530 11.2022 11.4810 11.8693 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.1568-0.4529 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5788 -16.2248 -7.2148 -6.8664 -6.7439 - -3.0302 -3.0228 -3.0099 -2.5301 1.5993 2.2188 2.6755 2.8765 - 3.2644 3.6270 3.7494 3.9683 4.2819 6.9037 8.2571 9.1000 - 9.8690 10.1944 10.4867 10.8030 11.0075 11.1645 11.6057 11.7516 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.1568-0.3529 ( 15107 PWs) bands (ev): - 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9.7294 10.0447 10.1720 10.5850 10.8237 11.1184 11.4864 11.7324 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.0567 0.4451 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2455 -6.8587 -6.7289 - -3.0246 -3.0190 -3.0106 -2.4309 1.4072 2.1632 2.5817 3.1072 - 3.3987 3.4551 3.6181 3.9795 4.2428 6.9566 8.2831 9.5660 - 10.0534 10.2565 10.4258 10.6992 10.9796 11.2353 11.3439 11.6853 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.0567-0.3555 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3133 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2840 -6.8332 -6.7188 - -3.0251 -3.0161 -3.0110 -2.3516 1.3839 2.0073 2.7200 2.9673 - 3.3931 3.5113 3.6351 3.8702 4.1077 7.4978 8.3764 9.5309 - 9.7135 9.9961 10.2595 10.5217 10.9241 11.2729 11.5038 11.6076 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.0567-0.2554 ( 15135 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - 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3.4384 3.5684 3.6779 3.7777 3.9310 8.3154 9.0347 9.1236 - 9.4552 9.6312 9.7480 10.1241 10.5556 10.6083 11.6213 12.3548 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.2500-0.0567-0.0553 ( 15135 PWs) bands (ev): - - -39.3710 -39.3706 -39.3706 -39.3141 -39.3139 -39.3138 -39.3134 -39.3133 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5933 -19.5835 -19.5834 -19.5789 -16.2255 -7.4212 -6.7547 -6.6623 - -3.0244 -3.0222 -3.0121 -1.9808 1.3025 1.3534 2.3216 3.4338 - 3.4548 3.6029 3.6183 3.7931 3.8764 8.3551 8.9653 9.1534 - 9.4979 9.5029 9.7923 10.0689 10.4708 10.5110 11.6112 12.4056 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406 0.0396 ( 15129 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3684 -6.8106 -6.6608 - -3.0212 -3.0201 -3.0117 -2.1155 1.3858 1.4071 2.5734 3.3044 - 3.4436 3.6202 3.6311 3.7678 3.9116 7.6105 9.1558 9.4299 - 9.7300 9.7814 10.0202 10.2009 10.6872 10.7938 11.4532 12.0813 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406 0.1396 ( 15146 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3452 -6.8076 -6.6817 - -3.0229 -3.0192 -3.0147 -2.2251 1.3902 1.6856 2.5267 3.1872 - 3.4249 3.5881 3.7331 3.8115 3.9469 7.5767 8.9390 9.4852 - 9.5429 9.8846 10.0576 10.2981 10.7134 10.8720 11.5692 11.8174 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406 0.2397 ( 15150 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2997 -6.8065 -6.7224 - -3.0241 -3.0195 -3.0166 -2.3756 1.4211 2.0903 2.4778 3.0975 - 3.3853 3.5341 3.6900 3.9556 4.0440 7.5185 8.2772 9.4566 - 9.6994 10.0429 10.2231 10.5195 10.7502 11.0785 11.4629 11.8094 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406 0.3398 ( 15143 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3140 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2420 -6.8158 -6.7663 - -3.0242 -3.0229 -3.0148 -2.5053 1.4621 2.4300 2.4513 3.0758 - 3.3493 3.4800 3.6338 4.1227 4.1578 7.4001 7.5432 9.4957 - 9.9247 10.2771 10.5309 10.7721 10.8583 11.0280 11.3576 11.9684 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406 0.4398 ( 15139 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1925 -6.8523 -6.7781 - -3.0262 -3.0226 -3.0127 -2.5750 1.4894 2.3976 2.6237 3.0933 - 3.3534 3.4397 3.5886 4.1545 4.3930 6.8689 7.4648 9.5319 - 10.1959 10.4796 10.5643 10.9302 10.9795 11.1726 11.3516 11.8872 - 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1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406-0.3607 ( 15091 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5788 -16.2249 -7.2248 -6.8540 -6.7514 - -3.0263 -3.0185 -3.0111 -2.4870 1.4439 2.2657 2.7142 2.9968 - 3.3204 3.4604 3.6137 4.0296 4.2445 7.2776 7.7129 9.5501 - 9.9251 10.2496 10.5485 10.7601 11.0459 11.1436 11.4992 11.7883 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406-0.2607 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3133 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2840 -6.8332 -6.7188 - -3.0251 -3.0161 -3.0110 -2.3516 1.3839 2.0073 2.7200 2.9673 - 3.3931 3.5113 3.6351 3.8702 4.1077 7.4978 8.3764 9.5309 - 9.7135 9.9961 10.2595 10.5217 10.9241 11.2729 11.5038 11.6076 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.0406-0.1606 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - 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9.7333 9.8254 9.9994 10.2197 10.7493 10.8211 11.3668 12.1358 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406 0.0369 ( 15146 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3452 -6.8076 -6.6817 - -3.0229 -3.0192 -3.0147 -2.2251 1.3902 1.6856 2.5267 3.1872 - 3.4249 3.5881 3.7331 3.8115 3.9469 7.5767 8.9390 9.4852 - 9.5429 9.8846 10.0576 10.2981 10.7134 10.8720 11.5692 11.8174 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406 0.1370 ( 15126 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2251 -7.3247 -6.8048 -6.6967 - -3.0268 -3.0224 -3.0153 -2.3374 1.6201 1.7351 2.4875 3.1060 - 3.3361 3.6499 3.8319 3.8652 3.9561 7.5377 8.8221 9.1287 - 9.5515 9.9132 10.0687 10.4590 10.8311 10.8759 11.5884 11.7549 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406 0.2371 ( 15139 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2823 -6.8040 -6.7299 - -3.0293 -3.0266 -3.0171 -2.4897 1.6894 2.0947 2.4526 3.0230 - 3.2476 3.6711 3.8522 3.9703 4.0429 7.4758 8.2279 8.9536 - 9.6270 10.0347 10.1422 10.7074 10.8929 11.0393 11.4135 11.9589 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406 0.3372 ( 15143 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.2275 -6.8139 -6.7671 - -3.0301 -3.0292 -3.0197 -2.6200 1.7304 2.4234 2.4411 2.9700 - 3.2095 3.6786 3.8219 4.1258 4.1550 7.3654 7.4846 8.9441 - 9.7644 10.2376 10.3172 10.7081 11.0888 11.1133 11.3713 12.2266 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406 0.4372 ( 15147 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1788 -6.8490 -6.7782 - -3.0322 -3.0290 -3.0192 -2.6888 1.7552 2.4067 2.5973 2.9438 - 3.2311 3.6701 3.7893 4.1590 4.3970 6.8183 7.4156 8.9637 - 9.9246 10.3610 10.5320 10.6519 10.9234 11.3133 11.6036 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406-0.4634 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2247 -7.1664 -6.8686 -6.7746 - -3.0327 -3.0279 -3.0162 -2.6794 1.7415 2.3810 2.6553 2.9464 - 3.1929 3.6412 3.7892 4.1322 4.4335 6.7869 7.4592 8.9912 - 9.9359 10.3584 10.5295 10.6481 11.0118 11.3445 11.7679 11.9609 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406-0.3633 ( 15098 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2248 -7.2026 -6.8528 -6.7625 - -3.0310 -3.0263 -3.0121 -2.5947 1.6804 2.2933 2.7177 2.9125 - 3.1446 3.6066 3.8024 4.0413 4.2483 7.2289 7.6695 9.0240 - 9.7877 10.1863 10.3755 10.7444 11.1912 11.3051 11.4785 12.1156 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406-0.2633 ( 15107 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2249 -7.2592 -6.8302 -6.7384 - -3.0291 -3.0228 -3.0087 -2.4564 1.5752 2.0887 2.7089 2.9036 - 3.2402 3.5606 3.7980 3.9108 4.1110 7.4565 8.3222 9.0786 - 9.6565 9.9790 10.2034 10.7043 11.0776 11.2608 11.4700 11.8317 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406-0.1632 ( 15124 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2251 -7.3094 -6.8177 -6.7084 - -3.0261 -3.0196 -3.0084 -2.3078 1.4304 1.8615 2.6268 3.0581 - 3.3551 3.5278 3.7402 3.8373 4.0258 7.5439 8.8689 9.2624 - 9.6056 9.8819 10.0850 10.4815 10.9367 11.0488 11.4587 11.7909 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.1406-0.0631 ( 15124 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2252 -7.3400 -6.8115 -6.6866 - -3.0226 -3.0189 -3.0113 -2.2129 1.3226 1.7324 2.5706 3.1972 - 3.3974 3.5845 3.6545 3.8135 3.9725 7.5809 8.9652 9.4635 - 9.6433 9.8810 10.0306 10.3362 10.7761 10.9116 11.4607 11.8569 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.2407 0.0343 ( 15150 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2997 -6.8065 -6.7224 - -3.0241 -3.0195 -3.0166 -2.3756 1.4211 2.0903 2.4778 3.0975 - 3.3853 3.5341 3.6900 3.9556 4.0440 7.5185 8.2772 9.4566 - 9.6994 10.0429 10.2231 10.5195 10.7502 11.0785 11.4629 11.8094 - 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9.6218 10.2447 10.4293 10.4512 10.8969 11.4519 12.0116 12.0931 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.2407-0.3660 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1628 -6.8513 -6.7836 - -3.0380 -3.0342 -3.0191 -2.7526 2.0340 2.3704 2.6919 2.8628 - 2.9848 3.8079 3.9736 4.0700 4.2684 7.1408 7.5888 8.2429 - 9.5850 10.1823 10.2754 10.5924 11.1254 11.3504 11.8599 12.2100 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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3.3493 3.4800 3.6338 4.1227 4.1578 7.4001 7.5432 9.4957 - 9.9247 10.2771 10.5309 10.7721 10.8583 11.0280 11.3576 11.9684 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407 0.1318 ( 15143 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.2275 -6.8139 -6.7671 - -3.0301 -3.0292 -3.0197 -2.6200 1.7304 2.4234 2.4411 2.9700 - 3.2095 3.6786 3.8219 4.1258 4.1550 7.3654 7.4846 8.9441 - 9.7644 10.2376 10.3172 10.7081 11.0888 11.1133 11.3713 12.2267 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407 0.2318 ( 15129 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5790 -16.2247 -7.1944 -6.8110 -6.7813 - -3.0388 -3.0362 -3.0282 -2.7785 2.1327 2.4236 2.4462 2.9127 - 3.0727 3.9052 3.9979 4.1310 4.1606 7.3106 7.3996 8.1441 - 9.5599 10.2074 10.2313 10.5322 11.0134 11.2140 11.7561 12.4144 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407 0.3319 ( 15120 PWs) bands (ev): - - -39.3709 -39.3706 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1504 -6.8083 -6.8083 - -3.0425 -3.0425 -3.0421 -2.9144 2.4236 2.4673 2.4673 2.9620 - 2.9620 4.1009 4.1009 4.1555 4.2404 7.2399 7.3216 7.3216 - 9.4299 10.2200 10.2200 10.3227 11.1127 11.1127 12.1478 12.4587 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407 0.4320 ( 15112 PWs) bands (ev): - 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-3.0559 -3.0445 -3.0357 -2.9785 2.3893 2.5423 2.5983 2.8444 - 3.0658 4.0639 4.1088 4.1799 4.5960 6.5655 7.2993 7.3406 - 9.3969 10.1506 10.2824 10.3042 11.0077 11.3565 12.1273 12.5250 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407-0.3686 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1157 -6.8527 -6.8089 - -3.0444 -3.0395 -3.0304 -2.8943 2.2521 2.5592 2.6403 2.8731 - 2.9009 3.9748 4.0636 4.1374 4.3813 6.9847 7.3621 7.6204 - 9.4536 10.2013 10.2348 10.4131 11.1928 11.2260 12.1682 12.3317 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407-0.2685 ( 15107 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1612 -6.8262 -6.8118 - -3.0387 -3.0325 -3.0178 -2.7501 1.9693 2.5410 2.5898 2.8750 - 2.9799 3.7729 3.9408 4.1247 4.2526 7.2354 7.4462 8.3166 - 9.5770 10.1989 10.2343 10.6041 11.1544 11.3719 11.9013 12.3047 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407-0.1684 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.2053 -6.8145 -6.7986 - -3.0316 -3.0262 -3.0101 -2.5946 1.6354 2.5032 2.5074 3.0015 - 3.1413 3.5473 3.7810 4.1211 4.2021 7.3452 7.5196 9.0829 - 9.7721 10.2437 10.2680 10.7385 11.2712 11.3122 11.4759 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.3407-0.0684 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2343 -6.8160 -6.7776 - -3.0248 -3.0231 -3.0098 -2.4949 1.4304 2.4528 2.4748 3.1256 - 3.3208 3.3965 3.6230 4.1209 4.1732 7.3963 7.5560 9.5549 - 9.9350 10.2656 10.4534 10.8165 10.9943 11.0632 11.4504 11.8719 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408 0.0291 ( 15139 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1925 -6.8523 -6.7781 - -3.0262 -3.0226 -3.0127 -2.5750 1.4894 2.3976 2.6237 3.0933 - 3.3534 3.4397 3.5886 4.1545 4.3930 6.8689 7.4648 9.5319 - 10.1959 10.4796 10.5643 10.9302 10.9795 11.1726 11.3516 11.8873 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408 0.1292 ( 15147 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1788 -6.8490 -6.7782 - -3.0322 -3.0290 -3.0192 -2.6888 1.7552 2.4067 2.5973 2.9438 - 3.2311 3.6701 3.7893 4.1590 4.3970 6.8183 7.4156 8.9637 - 9.9246 10.3610 10.5320 10.6519 10.9234 11.3133 11.6036 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408 0.2292 ( 15132 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2246 -7.1485 -6.8449 -6.7876 - -3.0424 -3.0385 -3.0282 -2.8491 2.1642 2.4259 2.5753 2.8509 - 3.1302 3.9114 3.9849 4.1684 4.4248 6.7310 7.3416 8.1400 - 9.6102 10.2465 10.3973 10.4528 10.8520 11.3817 11.9766 12.2057 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408 0.3293 ( 15112 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2244 -7.1093 -6.8411 -6.8067 - -3.0580 -3.0457 -3.0388 -2.9845 2.4264 2.5027 2.5686 2.8826 - 3.0889 4.0989 4.1146 4.1961 4.5358 6.6362 7.2679 7.2831 - 9.3852 10.1625 10.2440 10.2931 10.9864 11.2937 12.2373 12.4786 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408 0.4294 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0740 -6.8414 -6.8287 - -3.0931 -3.0466 -3.0454 -3.0353 2.4376 2.5357 2.6165 2.9270 - 3.1810 4.1401 4.1510 4.2604 4.7770 6.4996 6.6854 7.2505 - 9.2748 10.1128 10.1827 10.2117 11.0819 11.3028 12.4030 12.4136 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0062 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408-0.4713 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5031 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408-0.3712 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3496 12.1951 12.4613 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408-0.2711 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8576 -6.8125 - -3.0413 -3.0357 -3.0212 -2.8307 2.0439 2.5336 2.6907 2.8326 - 3.0081 3.8519 3.9321 4.1700 4.4840 6.7157 7.3307 8.2570 - 9.6147 10.2171 10.4063 10.5199 10.9560 11.4959 12.0966 12.2062 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408-0.1711 ( 15104 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2247 -7.1595 -6.8557 -6.7979 - -3.0333 -3.0270 -3.0120 -2.6718 1.6899 2.4547 2.6888 2.9388 - 3.1456 3.6148 3.7539 4.1594 4.4266 6.8160 7.4240 9.0603 - 9.9077 10.3341 10.5537 10.6262 11.0799 11.4886 11.7557 12.0385 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500 0.4408-0.0710 ( 15128 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.1858 -6.8544 -6.7854 - -3.0270 -3.0222 -3.0094 -2.5681 1.4681 2.4108 2.6559 3.1088 - 3.3171 3.4029 3.5832 4.1545 4.4019 6.8691 7.4694 9.5760 - 10.1871 10.4464 10.5634 10.8823 11.0562 11.3216 11.4596 11.7967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596 0.0527 ( 15129 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1837 -6.8707 -6.7708 - -3.0272 -3.0208 -3.0114 -2.5682 1.4841 2.3660 2.6779 3.0878 - 3.3168 3.4379 3.5877 4.1264 4.4242 6.8413 7.5052 9.5508 - 10.1880 10.5001 10.5650 10.8744 11.0074 11.3098 11.5006 11.7416 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596 0.1527 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2247 -7.1664 -6.8686 -6.7746 - -3.0327 -3.0279 -3.0162 -2.6794 1.7415 2.3810 2.6553 2.9464 - 3.1929 3.6412 3.7892 4.1322 4.4335 6.7869 7.4592 8.9912 - 9.9359 10.3584 10.5295 10.6481 11.0118 11.3445 11.7679 11.9613 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596 0.2528 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1330 -6.8654 -6.7868 - -3.0422 -3.0374 -3.0250 -2.8396 2.1414 2.4180 2.6299 2.8351 - 3.0975 3.8789 3.9815 4.1452 4.4701 6.6890 7.3870 8.1709 - 9.6218 10.2447 10.4293 10.4512 10.8969 11.4519 12.0116 12.0931 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596 0.3529 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0927 -6.8615 -6.8070 - -3.0559 -3.0445 -3.0357 -2.9785 2.3893 2.5423 2.5983 2.8444 - 3.0658 4.0639 4.1088 4.1799 4.5960 6.5655 7.2993 7.3406 - 9.3969 10.1506 10.2824 10.3042 11.0077 11.3565 12.1273 12.5249 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596 0.4529 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5031 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596-0.4477 ( 15117 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0543 -6.8523 -6.8416 - -3.0825 -3.0482 -3.0454 -3.0318 2.4057 2.5619 2.6510 2.9045 - 3.1451 4.1072 4.1285 4.2618 4.8439 6.4130 6.7015 7.3287 - 9.2839 10.1012 10.1958 10.2430 11.1394 11.3302 12.2931 12.4823 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0287 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596-0.3476 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3496 12.1951 12.4612 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596-0.2476 ( 15111 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2246 -7.1204 -6.8658 -6.8030 - -3.0412 -3.0368 -3.0212 -2.8315 2.0621 2.4930 2.7101 2.8321 - 3.0069 3.8680 3.9388 4.1518 4.4919 6.6947 7.3647 8.2336 - 9.6209 10.2045 10.4389 10.5152 10.9258 11.4937 12.0651 12.2033 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596-0.1475 ( 15108 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1578 -6.8693 -6.7857 - -3.0332 -3.0272 -3.0127 -2.6717 1.7033 2.4143 2.7413 2.8924 - 3.1508 3.6473 3.7487 4.1348 4.4438 6.7897 7.4600 9.0394 - 9.9233 10.3100 10.5438 10.7492 10.9791 11.4947 11.6820 12.1016 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.4596-0.0474 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2248 -7.1807 -6.8710 -6.7747 - -3.0275 -3.0206 -3.0099 -2.5650 1.4723 2.3754 2.7071 3.0546 - 3.3230 3.4413 3.5668 4.1271 4.4270 6.8423 7.5071 9.5738 - 10.1804 10.4553 10.5652 11.0156 11.0528 11.1984 11.4928 11.8101 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595 0.0500 ( 15091 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5788 -16.2249 -7.2248 -6.8540 -6.7514 - -3.0263 -3.0185 -3.0111 -2.4870 1.4439 2.2657 2.7142 2.9968 - 3.3204 3.4604 3.6137 4.0296 4.2445 7.2776 7.7129 9.5501 - 9.9251 10.2496 10.5485 10.7601 11.0459 11.1436 11.4992 11.7883 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595 0.1501 ( 15098 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2248 -7.2026 -6.8528 -6.7625 - -3.0310 -3.0263 -3.0121 -2.5947 1.6804 2.2933 2.7177 2.9125 - 3.1446 3.6066 3.8024 4.0413 4.2483 7.2289 7.6695 9.0240 - 9.7877 10.1863 10.3755 10.7444 11.1912 11.3051 11.4785 12.1156 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595 0.2502 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1628 -6.8513 -6.7836 - -3.0380 -3.0342 -3.0191 -2.7526 2.0340 2.3704 2.6919 2.8628 - 2.9848 3.8079 3.9736 4.0700 4.2684 7.1408 7.5888 8.2429 - 9.5850 10.1823 10.2754 10.5924 11.1254 11.3504 11.8599 12.2099 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595 0.3502 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1157 -6.8527 -6.8089 - -3.0444 -3.0395 -3.0304 -2.8943 2.2521 2.5592 2.6403 2.8731 - 2.9009 3.9748 4.0636 4.1374 4.3813 6.9847 7.3621 7.6204 - 9.4536 10.2013 10.2348 10.4131 11.1928 11.2260 12.1682 12.3317 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595 0.4503 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3496 12.1951 12.4613 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595-0.4503 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3497 12.1952 12.4612 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595-0.3502 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1157 -6.8527 -6.8089 - -3.0444 -3.0395 -3.0304 -2.8943 2.2521 2.5592 2.6403 2.8731 - 2.9009 3.9748 4.0636 4.1374 4.3813 6.9847 7.3621 7.6204 - 9.4536 10.2013 10.2348 10.4131 11.1928 11.2260 12.1682 12.3317 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595-0.2502 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1628 -6.8513 -6.7836 - -3.0380 -3.0342 -3.0191 -2.7526 2.0340 2.3704 2.6919 2.8628 - 2.9848 3.8079 3.9736 4.0700 4.2684 7.1408 7.5888 8.2429 - 9.5850 10.1823 10.2754 10.5924 11.1254 11.3504 11.8599 12.2099 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595-0.1501 ( 15098 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2248 -7.2026 -6.8528 -6.7625 - -3.0310 -3.0263 -3.0121 -2.5947 1.6804 2.2933 2.7177 2.9125 - 3.1446 3.6066 3.8024 4.0413 4.2483 7.2289 7.6695 9.0240 - 9.7877 10.1863 10.3755 10.7444 11.1912 11.3051 11.4785 12.1155 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.3595-0.0500 ( 15091 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5788 -16.2249 -7.2248 -6.8540 -6.7514 - -3.0263 -3.0185 -3.0111 -2.4870 1.4439 2.2657 2.7142 2.9968 - 3.3204 3.4604 3.6137 4.0296 4.2445 7.2776 7.7129 9.5501 - 9.9251 10.2496 10.5485 10.7601 11.0459 11.1436 11.4992 11.7883 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595 0.0474 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3133 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2840 -6.8332 -6.7188 - -3.0251 -3.0161 -3.0110 -2.3516 1.3839 2.0073 2.7200 2.9673 - 3.3931 3.5113 3.6351 3.8702 4.1077 7.4978 8.3764 9.5309 - 9.7135 9.9961 10.2595 10.5217 10.9241 11.2729 11.5038 11.6076 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595 0.1475 ( 15107 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2249 -7.2592 -6.8302 -6.7384 - -3.0291 -3.0228 -3.0087 -2.4564 1.5752 2.0887 2.7089 2.9036 - 3.2402 3.5606 3.7980 3.9108 4.1110 7.4565 8.3222 9.0786 - 9.6565 9.9790 10.2034 10.7043 11.0776 11.2608 11.4700 11.8317 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595 0.2476 ( 15103 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - 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9.5770 10.1989 10.2343 10.6041 11.1544 11.3719 11.9013 12.3047 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595 0.4477 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8576 -6.8125 - -3.0413 -3.0357 -3.0212 -2.8307 2.0439 2.5336 2.6907 2.8326 - 3.0081 3.8519 3.9321 4.1700 4.4840 6.7157 7.3307 8.2570 - 9.6147 10.2171 10.4063 10.5199 10.9560 11.4959 12.0967 12.2063 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 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0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595-0.3529 ( 15109 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1628 -6.8513 -6.7836 - -3.0380 -3.0342 -3.0191 -2.7526 2.0340 2.3704 2.6919 2.8628 - 2.9848 3.8079 3.9736 4.0700 4.2684 7.1408 7.5888 8.2429 - 9.5850 10.1823 10.2754 10.5924 11.1254 11.3504 11.8599 12.2099 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595-0.2528 ( 15118 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - 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3.1683 3.5602 3.8445 3.9013 4.1075 7.4491 8.3351 9.0342 - 9.6499 10.0338 10.1584 10.6558 11.0880 11.2397 11.5187 11.8782 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.2595-0.0527 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2250 -7.2846 -6.8353 -6.7157 - -3.0244 -3.0182 -3.0102 -2.3532 1.4014 1.9784 2.7147 3.0139 - 3.3391 3.5006 3.6781 3.8704 4.1070 7.4961 8.3750 9.5170 - 9.7092 10.0096 10.2498 10.4886 10.9407 11.2663 11.5214 11.6410 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595 0.0448 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3351 -6.8213 -6.6843 - -3.0235 -3.0167 -3.0098 -2.2037 1.3243 1.6868 2.6687 3.1113 - 3.4323 3.5968 3.6520 3.7236 4.0133 7.5794 9.0198 9.4820 - 9.6309 9.8702 10.0618 10.2956 10.8369 11.0105 11.3607 11.9287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595 0.1449 ( 15124 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2251 -7.3094 -6.8177 -6.7084 - -3.0261 -3.0196 -3.0084 -2.3078 1.4304 1.8615 2.6268 3.0581 - 3.3551 3.5278 3.7402 3.8373 4.0258 7.5439 8.8689 9.2624 - 9.6056 9.8819 10.0850 10.4815 10.9367 11.0488 11.4587 11.7909 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595 0.2449 ( 15133 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2626 -6.8136 -6.7508 - -3.0290 -3.0239 -3.0080 -2.4592 1.5482 2.1809 2.5667 3.0240 - 3.2320 3.5097 3.7779 3.9942 4.0746 7.4801 8.2473 9.1221 - 9.6567 10.0150 10.1333 10.7437 11.0530 11.2022 11.4810 11.8693 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595 0.3450 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.2053 -6.8145 -6.7986 - -3.0316 -3.0262 -3.0101 -2.5946 1.6354 2.5032 2.5074 3.0015 - 3.1413 3.5473 3.7810 4.1211 4.2021 7.3452 7.5196 9.0829 - 9.7721 10.2437 10.2680 10.7385 11.2712 11.3122 11.4759 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595 0.4451 ( 15104 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2247 -7.1595 -6.8557 -6.7979 - -3.0333 -3.0270 -3.0120 -2.6718 1.6899 2.4547 2.6888 2.9388 - 3.1456 3.6148 3.7539 4.1594 4.4266 6.8160 7.4240 9.0603 - 9.9077 10.3341 10.5537 10.6262 11.0799 11.4886 11.7557 12.0384 - 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1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595-0.3555 ( 15098 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2248 -7.2026 -6.8528 -6.7625 - -3.0310 -3.0263 -3.0121 -2.5947 1.6804 2.2933 2.7177 2.9125 - 3.1446 3.6066 3.8024 4.0413 4.2483 7.2289 7.6695 9.0240 - 9.7877 10.1863 10.3755 10.7444 11.1912 11.3051 11.4785 12.1155 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595-0.2554 ( 15113 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2249 -7.2606 -6.8372 -6.7286 - -3.0274 -3.0255 -3.0093 -2.4601 1.6432 1.9860 2.7064 2.9987 - 3.1683 3.5602 3.8445 3.9013 4.1075 7.4491 8.3351 9.0342 - 9.6499 10.0338 10.1584 10.6558 11.0880 11.2397 11.5187 11.8782 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.1595-0.1553 ( 15125 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - 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9.5791 9.8853 10.0412 10.2829 10.8531 11.0144 11.4114 11.9478 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594 0.0422 ( 15116 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2253 -7.3649 -6.8148 -6.6624 - -3.0216 -3.0189 -3.0097 -2.1067 1.2987 1.4729 2.6192 3.2952 - 3.4327 3.5867 3.6388 3.7229 3.9444 7.6130 9.1928 9.4191 - 9.7333 9.8254 9.9994 10.2197 10.7493 10.8211 11.3668 12.1358 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594 0.1422 ( 15124 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2252 -7.3400 -6.8115 -6.6866 - -3.0226 -3.0189 -3.0113 -2.2129 1.3226 1.7324 2.5706 3.1972 - 3.3974 3.5845 3.6545 3.8135 3.9725 7.5809 8.9652 9.4635 - 9.6433 9.8810 10.0306 10.3362 10.7761 10.9116 11.4607 11.8569 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594 0.2423 ( 15146 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2250 -7.2929 -6.8092 -6.7306 - -3.0237 -3.0211 -3.0108 -2.3631 1.3751 2.1189 2.5124 3.1299 - 3.3671 3.4712 3.6474 3.9701 4.0508 7.5223 8.2891 9.5141 - 9.7294 10.0447 10.1720 10.5850 10.8237 11.1184 11.4864 11.7324 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594 0.3424 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3134 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2343 -6.8160 -6.7776 - -3.0248 -3.0231 -3.0098 -2.4949 1.4304 2.4528 2.4748 3.1256 - 3.3208 3.3965 3.6230 4.1209 4.1732 7.3963 7.5560 9.5549 - 9.9350 10.2656 10.4534 10.8165 10.9943 11.0632 11.4504 11.8719 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594 0.4425 ( 15128 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.1858 -6.8544 -6.7854 - -3.0270 -3.0222 -3.0094 -2.5681 1.4681 2.4108 2.6559 3.1088 - 3.3171 3.4029 3.5832 4.1545 4.4019 6.8691 7.4694 9.5760 - 10.1871 10.4464 10.5634 10.8823 11.0562 11.3216 11.4596 11.7967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594-0.4582 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2248 -7.1807 -6.8710 -6.7747 - -3.0275 -3.0206 -3.0099 -2.5650 1.4723 2.3754 2.7071 3.0546 - 3.3230 3.4413 3.5668 4.1271 4.4270 6.8423 7.5071 9.5738 - 10.1804 10.4553 10.5652 11.0156 11.0528 11.1984 11.4928 11.8101 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594-0.3581 ( 15091 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5788 -16.2249 -7.2248 -6.8540 -6.7514 - -3.0263 -3.0185 -3.0111 -2.4870 1.4439 2.2657 2.7142 2.9968 - 3.3204 3.4604 3.6137 4.0296 4.2445 7.2776 7.7129 9.5501 - 9.9251 10.2496 10.5485 10.7601 11.0459 11.1436 11.4992 11.7883 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594-0.2580 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3139 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2250 -7.2846 -6.8353 -6.7157 - -3.0244 -3.0182 -3.0102 -2.3532 1.4014 1.9784 2.7147 3.0139 - 3.3391 3.5006 3.6781 3.8704 4.1070 7.4961 8.3750 9.5170 - 9.7092 10.0096 10.2498 10.4886 10.9407 11.2663 11.5214 11.6410 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594-0.1580 ( 15120 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2252 -7.3347 -6.8247 -6.6810 - -3.0225 -3.0196 -3.0081 -2.2043 1.3690 1.6247 2.6927 3.1535 - 3.3574 3.5493 3.6910 3.7616 4.0134 7.5776 9.0167 9.5151 - 9.5791 9.8853 10.0412 10.2829 10.8531 11.0144 11.4114 11.9478 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.3500-0.0594-0.0579 ( 15117 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3139 -39.3138 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1601 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2253 -7.3632 -6.8188 -6.6611 - -3.0214 -3.0199 -3.0080 -2.1033 1.3621 1.3898 2.6591 3.3460 - 3.3552 3.5703 3.5942 3.7660 3.9566 7.6128 9.1985 9.4344 - 9.7439 9.7839 10.0293 10.2114 10.7712 10.8448 11.3642 12.1879 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379 0.0369 ( 15126 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3232 -6.8607 -6.6602 - -3.0192 -3.0185 -3.0088 -2.1783 1.4110 1.4206 2.7478 3.2609 - 3.4119 3.5745 3.5795 3.7515 4.1045 7.0602 9.2240 9.8010 - 9.8362 10.0148 10.2700 10.3013 10.9667 11.2437 11.4433 11.5609 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379 0.1370 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2986 -6.8586 -6.6810 - -3.0211 -3.0181 -3.0124 -2.2866 1.4109 1.7032 2.6675 3.1598 - 3.4409 3.5107 3.7324 3.7696 4.1384 7.0237 8.9756 9.5651 - 9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379 0.2371 ( 15135 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2515 -6.8561 -6.7225 - -3.0236 -3.0198 -3.0142 -2.4397 1.4446 2.1231 2.5648 3.1095 - 3.4162 3.4520 3.6727 3.9781 4.2304 6.9545 8.2752 9.5081 - 10.0695 10.2641 10.4344 10.6230 11.0248 11.1399 11.2643 11.7136 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379 0.3372 ( 15139 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1925 -6.8523 -6.7781 - -3.0262 -3.0226 -3.0127 -2.5750 1.4894 2.3976 2.6237 3.0933 - 3.3534 3.4397 3.5886 4.1545 4.3930 6.8689 7.4648 9.5319 - 10.1959 10.4796 10.5643 10.9302 10.9795 11.1726 11.3516 11.8873 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379 0.4372 ( 15136 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1429 -6.8496 -6.8269 - -3.0275 -3.0238 -3.0110 -2.6509 1.5195 2.3708 2.8563 3.0917 - 3.3434 3.4288 3.5077 4.2464 4.6035 6.7237 6.9602 9.5593 - 10.2594 10.4814 10.8357 11.0689 11.1676 11.3483 11.3834 11.9048 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379-0.4634 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1366 -6.8682 -6.8159 - -3.0284 -3.0227 -3.0099 -2.6472 1.5144 2.3699 2.8840 3.0878 - 3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7721 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379-0.3633 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2248 -7.1807 -6.8710 -6.7747 - -3.0275 -3.0206 -3.0099 -2.5650 1.4723 2.3754 2.7071 3.0546 - 3.3230 3.4413 3.5668 4.1271 4.4270 6.8423 7.5071 9.5738 - 10.1804 10.4553 10.5652 11.0156 11.0528 11.1984 11.4928 11.8101 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379-0.2633 ( 15131 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2411 -6.8681 -6.7253 - -3.0250 -3.0168 -3.0112 -2.4266 1.4099 2.1249 2.6479 3.0479 - 3.4226 3.4687 3.6055 3.9441 4.2660 6.9496 8.3105 9.5708 - 10.0405 10.2316 10.4719 10.7004 11.0886 11.1641 11.4131 11.5876 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379-0.1632 ( 15130 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2919 -6.8652 -6.6846 - -3.0222 -3.0146 -3.0109 -2.2749 1.3494 1.7480 2.7329 3.0965 - 3.4451 3.5848 3.6237 3.7361 4.1705 7.0247 9.0112 9.6190 - 9.9073 10.1050 10.3460 10.4294 11.0257 11.2967 11.3934 11.4542 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.0379-0.0631 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3209 -6.8628 -6.6617 - -3.0200 -3.0170 -3.0081 -2.1734 1.3226 1.5032 2.7733 3.2279 - 3.4245 3.5608 3.6126 3.7001 4.1188 7.0610 9.2446 9.7757 - 9.8713 10.0252 10.2790 10.2990 10.9827 11.2952 11.3719 11.6287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380 0.0343 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2986 -6.8586 -6.6810 - -3.0211 -3.0181 -3.0124 -2.2866 1.4109 1.7032 2.6675 3.1598 - 3.4409 3.5107 3.7324 3.7696 4.1384 7.0237 8.9756 9.5651 - 9.9166 10.1166 10.3354 10.3915 11.0114 11.1914 11.3259 11.5306 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380 0.1344 ( 15142 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5836 -19.5789 -16.2250 -7.2770 -6.8560 -6.6960 - -3.0257 -3.0205 -3.0145 -2.3978 1.6511 1.7398 2.6196 3.0439 - 3.3880 3.6009 3.8143 3.8407 4.1506 6.9814 8.8560 9.1587 - 9.8725 10.1586 10.3796 10.5784 11.0081 11.0445 11.2805 11.6356 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380 0.2345 ( 15132 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2339 -6.8528 -6.7299 - -3.0294 -3.0262 -3.0165 -2.5528 1.7134 2.1210 2.5521 2.9731 - 3.2840 3.6579 3.8373 3.9924 4.2300 6.9063 8.2279 8.9795 - 9.8794 10.2389 10.4549 10.7288 10.9181 11.0298 11.4853 11.8066 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380 0.3345 ( 15147 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1788 -6.8490 -6.7782 - -3.0322 -3.0290 -3.0192 -2.6888 1.7552 2.4067 2.5973 2.9438 - 3.2311 3.6701 3.7893 4.1590 4.3970 6.8183 7.4156 8.9637 - 9.9246 10.3610 10.5320 10.6519 10.9234 11.3133 11.6036 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380 0.4346 ( 15155 PWs) bands (ev): - 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-3.0342 -3.0286 -3.0171 -2.7577 1.7661 2.4039 2.8137 2.9331 - 3.2062 3.6568 3.7243 4.2394 4.6442 6.6276 6.9472 9.0041 - 9.9594 10.3747 10.6326 10.7304 10.9377 11.5877 11.8983 12.0900 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0001 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380-0.3660 ( 15108 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1578 -6.8693 -6.7857 - -3.0332 -3.0272 -3.0127 -2.6717 1.7033 2.4143 2.7413 2.8924 - 3.1508 3.6473 3.7487 4.1348 4.4438 6.7897 7.4600 9.0394 - 9.9233 10.3100 10.5438 10.7492 10.9791 11.4947 11.6820 12.1016 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380-0.2659 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5788 -16.2248 -7.2148 -6.8664 -6.7439 - -3.0302 -3.0228 -3.0099 -2.5301 1.5993 2.2188 2.6755 2.8765 - 3.2644 3.6270 3.7494 3.9683 4.2819 6.9037 8.2571 9.1000 - 9.8690 10.1944 10.4867 10.8030 11.0075 11.1645 11.6057 11.7516 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380-0.1658 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2645 -6.8635 -6.7076 - -3.0262 -3.0172 -3.0099 -2.3775 1.4592 1.9251 2.6986 2.9702 - 3.4182 3.5675 3.7058 3.8220 4.1964 6.9855 8.8640 9.3010 - 9.8635 10.1331 10.3925 10.6631 11.0384 11.1519 11.3352 11.5985 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.1380-0.0657 ( 15130 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2943 -6.8611 -6.6853 - -3.0219 -3.0158 -3.0111 -2.2782 1.3489 1.7625 2.6922 3.1385 - 3.4207 3.5787 3.6357 3.7666 4.1558 7.0259 8.9921 9.6103 - 9.9153 10.1170 10.3290 10.4342 11.0173 11.2460 11.3288 11.5263 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380 0.0317 ( 15135 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2515 -6.8561 -6.7225 - -3.0236 -3.0198 -3.0142 -2.4397 1.4446 2.1231 2.5648 3.1095 - 3.4162 3.4520 3.6727 3.9781 4.2304 6.9545 8.2752 9.5081 - 10.0695 10.2641 10.4344 10.6230 11.0248 11.1399 11.2643 11.7136 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380 0.1318 ( 15132 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2339 -6.8528 -6.7299 - -3.0294 -3.0262 -3.0165 -2.5528 1.7134 2.1210 2.5521 2.9731 - 3.2840 3.6579 3.8373 3.9924 4.2300 6.9063 8.2279 8.9795 - 9.8794 10.2389 10.4549 10.7288 10.9181 11.0298 11.4853 11.8066 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380 0.2318 ( 15151 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5836 -19.5790 -16.2247 -7.1966 -6.8490 -6.7523 - -3.0358 -3.0348 -3.0213 -2.7106 2.0791 2.1847 2.5323 2.8823 - 3.1671 3.8400 3.9543 4.0482 4.2715 6.8235 8.1325 8.2256 - 9.7098 10.2191 10.4954 10.5429 10.7956 11.3060 11.6920 12.0675 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380 0.3319 ( 15132 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2246 -7.1485 -6.8449 -6.7876 - -3.0424 -3.0385 -3.0282 -2.8491 2.1642 2.4259 2.5753 2.8509 - 3.1302 3.9114 3.9849 4.1684 4.4248 6.7310 7.3416 8.1400 - 9.6102 10.2465 10.3973 10.4528 10.8520 11.3817 11.9766 12.2057 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380 0.4320 ( 15120 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1051 -6.8445 -6.8228 - -3.0455 -3.0381 -3.0325 -2.9261 2.1899 2.4430 2.6860 2.8295 - 3.2082 3.9224 3.9598 4.2552 4.6672 6.5888 6.7966 8.1338 - 9.5694 10.2523 10.3704 10.4214 10.9185 11.4212 12.2179 12.2870 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0002 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380-0.4686 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.0913 -6.8617 -6.8226 - -3.0449 -3.0381 -3.0291 -2.9198 2.1629 2.4652 2.7137 2.8251 - 3.1682 3.9038 3.9508 4.2459 4.7025 6.5248 6.8514 8.1632 - 9.5757 10.2260 10.4098 10.4351 10.9496 11.4668 12.1448 12.3132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0006 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380-0.3686 ( 15111 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2246 -7.1204 -6.8658 -6.8030 - -3.0412 -3.0368 -3.0212 -2.8315 2.0621 2.4930 2.7101 2.8321 - 3.0069 3.8680 3.9388 4.1518 4.4919 6.6947 7.3647 8.2336 - 9.6209 10.2045 10.4389 10.5152 10.9258 11.4937 12.0650 12.2033 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380-0.2685 ( 15120 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1704 -6.8631 -6.7745 - -3.0364 -3.0306 -3.0134 -2.6865 1.8638 2.4028 2.6796 2.7771 - 3.0937 3.7769 3.8712 4.0448 4.3363 6.8187 8.0314 8.4657 - 9.7116 10.1803 10.5062 10.6142 10.8961 11.4975 11.8115 12.0757 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380-0.1684 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.2165 -6.8608 -6.7474 - -3.0303 -3.0232 -3.0095 -2.5312 1.5912 2.2522 2.6148 2.9274 - 3.2614 3.6018 3.7501 3.9961 4.2697 6.9099 8.2339 9.1158 - 9.8658 10.2095 10.4627 10.7563 11.0280 11.1841 11.6125 11.8053 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.2380-0.0684 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2455 -6.8587 -6.7289 - -3.0246 -3.0190 -3.0106 -2.4309 1.4072 2.1632 2.5817 3.1072 - 3.3987 3.4551 3.6181 3.9795 4.2428 6.9566 8.2831 9.5660 - 10.0534 10.2565 10.4258 10.6992 10.9796 11.2353 11.3439 11.6853 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380 0.0291 ( 15139 PWs) bands (ev): - 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-3.0322 -3.0290 -3.0192 -2.6888 1.7552 2.4067 2.5973 2.9438 - 3.2311 3.6701 3.7893 4.1590 4.3970 6.8183 7.4156 8.9637 - 9.9246 10.3610 10.5320 10.6519 10.9234 11.3133 11.6036 12.1132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380 0.2292 ( 15132 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2246 -7.1485 -6.8449 -6.7876 - -3.0424 -3.0385 -3.0282 -2.8491 2.1642 2.4259 2.5753 2.8509 - 3.1302 3.9114 3.9849 4.1684 4.4248 6.7310 7.3416 8.1400 - 9.6102 10.2465 10.3973 10.4528 10.8520 11.3817 11.9766 12.2057 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380 0.3293 ( 15112 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5788 -16.2244 -7.1093 -6.8411 -6.8067 - -3.0580 -3.0457 -3.0388 -2.9845 2.4264 2.5027 2.5686 2.8826 - 3.0889 4.0989 4.1146 4.1961 4.5358 6.6362 7.2679 7.2831 - 9.3852 10.1625 10.2440 10.2931 10.9864 11.2937 12.2373 12.4786 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380 0.4294 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0740 -6.8414 -6.8287 - -3.0931 -3.0466 -3.0454 -3.0353 2.4376 2.5357 2.6165 2.9270 - 3.1810 4.1401 4.1510 4.2604 4.7770 6.4996 6.6854 7.2505 - 9.2748 10.1128 10.1827 10.2117 11.0819 11.3028 12.4030 12.4135 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0062 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380-0.4713 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5031 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380-0.3712 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3496 12.1951 12.4612 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380-0.2711 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8576 -6.8125 - -3.0413 -3.0357 -3.0212 -2.8307 2.0439 2.5336 2.6907 2.8326 - 3.0081 3.8519 3.9321 4.1700 4.4840 6.7157 7.3307 8.2570 - 9.6147 10.2171 10.4063 10.5199 10.9560 11.4959 12.0967 12.2062 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380-0.1711 ( 15104 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2247 -7.1595 -6.8557 -6.7979 - -3.0333 -3.0270 -3.0120 -2.6718 1.6899 2.4547 2.6888 2.9388 - 3.1456 3.6148 3.7539 4.1594 4.4266 6.8160 7.4240 9.0603 - 9.9077 10.3341 10.5537 10.6262 11.0799 11.4886 11.7557 12.0385 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.3380-0.0710 ( 15128 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.1858 -6.8544 -6.7854 - -3.0270 -3.0222 -3.0094 -2.5681 1.4681 2.4108 2.6559 3.1088 - 3.3171 3.4029 3.5832 4.1545 4.4019 6.8691 7.4694 9.5760 - 10.1871 10.4464 10.5634 10.8823 11.0562 11.3216 11.4596 11.7967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381 0.0265 ( 15136 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1429 -6.8496 -6.8269 - -3.0275 -3.0238 -3.0110 -2.6509 1.5195 2.3708 2.8563 3.0917 - 3.3434 3.4288 3.5077 4.2464 4.6035 6.7237 6.9602 9.5593 - 10.2594 10.4814 10.8357 11.0689 11.1676 11.3483 11.3834 11.9048 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381 0.1265 ( 15155 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5836 -19.5789 -16.2246 -7.1307 -6.8476 -6.8228 - -3.0334 -3.0294 -3.0199 -2.7640 1.7809 2.3982 2.7762 2.9290 - 3.2586 3.6685 3.7289 4.2498 4.6203 6.6745 6.8994 8.9781 - 9.9547 10.4031 10.6617 10.6682 10.8929 11.5181 11.8093 12.1995 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381 0.2266 ( 15120 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.1051 -6.8445 -6.8228 - -3.0455 -3.0381 -3.0325 -2.9261 2.1899 2.4430 2.6860 2.8295 - 3.2082 3.9224 3.9598 4.2552 4.6672 6.5888 6.7966 8.1338 - 9.5694 10.2523 10.3704 10.4214 10.9185 11.4212 12.2179 12.2870 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0002 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381 0.3267 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0740 -6.8414 -6.8287 - -3.0931 -3.0466 -3.0454 -3.0353 2.4376 2.5357 2.6165 2.9270 - 3.1810 4.1401 4.1510 4.2604 4.7770 6.4996 6.6854 7.2505 - 9.2748 10.1128 10.1827 10.2117 11.0819 11.3028 12.4031 12.4135 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0062 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381 0.4267 ( 15132 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2242 -7.0481 -6.8395 -6.8395 - -3.1691 -3.0515 -3.0515 -3.0497 2.4553 2.5841 2.5841 3.1646 - 3.1646 4.2548 4.2548 4.2664 4.9873 6.3983 6.6143 6.6143 - 9.1215 10.0411 10.0970 10.0970 11.2345 11.2345 12.5464 12.5464 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0529 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381-0.4739 ( 15124 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2242 -7.0395 -6.8497 -6.8396 - -3.1655 -3.0528 -3.0511 -3.0479 2.4583 2.5781 2.5955 3.1531 - 3.1534 4.2378 4.2423 4.2699 5.0405 6.2666 6.6211 6.7219 - 9.1261 10.0369 10.1034 10.1081 11.2427 11.2602 12.4703 12.6454 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 0.9007 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381-0.3738 ( 15117 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0543 -6.8523 -6.8416 - -3.0825 -3.0482 -3.0454 -3.0318 2.4057 2.5619 2.6510 2.9045 - 3.1451 4.1072 4.1285 4.2618 4.8439 6.4130 6.7015 7.3287 - 9.2839 10.1012 10.1958 10.2430 11.1394 11.3302 12.2931 12.4823 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0287 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381-0.2737 ( 15100 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2245 -7.0850 -6.8477 -6.8448 - -3.0438 -3.0367 -3.0289 -2.9168 2.1358 2.4892 2.7430 2.8163 - 3.1450 3.8881 3.9407 4.2554 4.7055 6.5549 6.8138 8.1903 - 9.5716 10.2316 10.3751 10.4682 10.9883 11.4759 12.1676 12.3025 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0007 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381-0.1737 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1167 -6.8479 -6.8405 - -3.0343 -3.0283 -3.0155 -2.7550 1.7510 2.4154 2.8432 2.9382 - 3.1748 3.6335 3.7273 4.2496 4.6385 6.6622 6.9116 9.0282 - 9.9430 10.3867 10.6463 10.6571 11.0211 11.6187 12.0035 12.0995 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500 0.4381-0.0736 ( 15126 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1380 -6.8497 -6.8332 - -3.0281 -3.0233 -3.0091 -2.6472 1.5096 2.3750 2.8888 3.1097 - 3.2802 3.4025 3.5318 4.2463 4.6089 6.7206 6.9645 9.5824 - 10.2551 10.4804 10.7667 11.0034 11.3414 11.4600 11.5109 11.7283 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623 0.0500 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1366 -6.8682 -6.8159 - -3.0284 -3.0227 -3.0099 -2.6472 1.5144 2.3699 2.8840 3.0878 - 3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7720 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623 0.1501 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8659 -6.8180 - -3.0342 -3.0286 -3.0171 -2.7577 1.7661 2.4039 2.8137 2.9331 - 3.2062 3.6568 3.7243 4.2394 4.6442 6.6276 6.9472 9.0041 - 9.9594 10.3747 10.6326 10.7304 10.9377 11.5877 11.8983 12.0900 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0001 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623 0.2502 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.0913 -6.8617 -6.8226 - -3.0449 -3.0381 -3.0291 -2.9198 2.1629 2.4652 2.7137 2.8251 - 3.1682 3.9038 3.9508 4.2459 4.7025 6.5248 6.8514 8.1632 - 9.5757 10.2260 10.4098 10.4351 10.9496 11.4668 12.1448 12.3131 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0006 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623 0.3502 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5030 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623 0.4503 ( 15124 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2242 -7.0395 -6.8497 -6.8396 - -3.1655 -3.0528 -3.0511 -3.0479 2.4583 2.5781 2.5955 3.1531 - 3.1534 4.2378 4.2423 4.2699 5.0405 6.2666 6.6211 6.7219 - 9.1261 10.0369 10.1034 10.1081 11.2427 11.2602 12.4703 12.6455 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 0.9007 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623-0.4503 ( 15124 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3135 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2242 -7.0395 -6.8497 -6.8396 - -3.1655 -3.0528 -3.0511 -3.0479 2.4583 2.5781 2.5955 3.1531 - 3.1534 4.2378 4.2423 4.2699 5.0405 6.2666 6.6211 6.7219 - 9.1261 10.0369 10.1034 10.1081 11.2427 11.2602 12.4703 12.6453 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 0.9007 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623-0.3502 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5031 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623-0.2502 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.0913 -6.8617 -6.8226 - -3.0449 -3.0381 -3.0291 -2.9198 2.1629 2.4652 2.7137 2.8251 - 3.1682 3.9038 3.9508 4.2459 4.7025 6.5248 6.8514 8.1632 - 9.5757 10.2260 10.4098 10.4351 10.9496 11.4668 12.1448 12.3131 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0006 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623-0.1501 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8659 -6.8180 - -3.0342 -3.0286 -3.0171 -2.7577 1.7661 2.4039 2.8137 2.9331 - 3.2062 3.6568 3.7243 4.2394 4.6442 6.6276 6.9472 9.0041 - 9.9594 10.3747 10.6326 10.7304 10.9377 11.5877 11.8983 12.0900 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0001 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.4623-0.0500 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1366 -6.8682 -6.8159 - -3.0284 -3.0227 -3.0099 -2.6472 1.5144 2.3699 2.8840 3.0878 - 3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7720 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622 0.0474 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2248 -7.1807 -6.8710 -6.7747 - -3.0275 -3.0206 -3.0099 -2.5650 1.4723 2.3754 2.7071 3.0546 - 3.3230 3.4413 3.5668 4.1271 4.4270 6.8423 7.5071 9.5738 - 10.1804 10.4553 10.5652 11.0156 11.0528 11.1984 11.4928 11.8101 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622 0.1475 ( 15108 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1578 -6.8693 -6.7857 - -3.0332 -3.0272 -3.0127 -2.6717 1.7033 2.4143 2.7413 2.8924 - 3.1508 3.6473 3.7487 4.1348 4.4438 6.7897 7.4600 9.0394 - 9.9233 10.3100 10.5438 10.7492 10.9791 11.4947 11.6820 12.1014 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622 0.2476 ( 15111 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2246 -7.1204 -6.8658 -6.8030 - -3.0412 -3.0368 -3.0212 -2.8315 2.0621 2.4930 2.7101 2.8321 - 3.0069 3.8680 3.9388 4.1518 4.4919 6.6947 7.3647 8.2336 - 9.6209 10.2045 10.4389 10.5152 10.9258 11.4937 12.0650 12.2033 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622 0.3476 ( 15113 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0799 -6.8604 -6.8243 - -3.0505 -3.0453 -3.0343 -2.9741 2.3197 2.5984 2.6354 2.8972 - 2.9731 4.0361 4.0794 4.1951 4.6231 6.5795 7.1290 7.5240 - 9.3999 10.1371 10.2774 10.3431 11.0702 11.3496 12.1952 12.4612 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622 0.4477 ( 15117 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2243 -7.0543 -6.8523 -6.8416 - -3.0825 -3.0482 -3.0454 -3.0318 2.4057 2.5619 2.6510 2.9045 - 3.1451 4.1072 4.1285 4.2618 4.8439 6.4130 6.7015 7.3287 - 9.2839 10.1012 10.1958 10.2430 11.1394 11.3302 12.2931 12.4823 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0287 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622-0.4529 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2243 -7.0603 -6.8563 -6.8304 - -3.0868 -3.0472 -3.0436 -3.0343 2.4210 2.5549 2.6325 2.9107 - 3.1562 4.1169 4.1420 4.2534 4.8307 6.4004 6.7430 7.2933 - 9.2823 10.0996 10.2095 10.2225 11.1083 11.3351 12.2805 12.5031 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0222 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622-0.3529 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2244 -7.0927 -6.8615 -6.8070 - -3.0559 -3.0445 -3.0357 -2.9785 2.3893 2.5423 2.5983 2.8444 - 3.0658 4.0639 4.1088 4.1799 4.5960 6.5655 7.2993 7.3406 - 9.3969 10.1506 10.2824 10.3042 11.0077 11.3565 12.1273 12.5250 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622-0.2528 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1330 -6.8654 -6.7868 - -3.0422 -3.0374 -3.0250 -2.8396 2.1414 2.4180 2.6299 2.8351 - 3.0975 3.8789 3.9815 4.1452 4.4701 6.6890 7.3870 8.1709 - 9.6218 10.2447 10.4293 10.4512 10.8969 11.4519 12.0116 12.0931 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.3622-0.1527 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - 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10.1880 10.5001 10.5650 10.8744 11.0074 11.3098 11.5006 11.7416 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622 0.0448 ( 15131 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2411 -6.8681 -6.7253 - -3.0250 -3.0168 -3.0112 -2.4266 1.4099 2.1249 2.6479 3.0479 - 3.4226 3.4687 3.6055 3.9441 4.2660 6.9496 8.3105 9.5708 - 10.0405 10.2316 10.4719 10.7004 11.0886 11.1641 11.4131 11.5877 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622 0.1449 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5788 -16.2248 -7.2148 -6.8664 -6.7439 - -3.0302 -3.0228 -3.0099 -2.5301 1.5993 2.2188 2.6755 2.8765 - 3.2644 3.6270 3.7494 3.9683 4.2819 6.9037 8.2571 9.1000 - 9.8690 10.1944 10.4867 10.8030 11.0075 11.1645 11.6057 11.7516 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622 0.2449 ( 15120 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1704 -6.8631 -6.7745 - -3.0364 -3.0306 -3.0134 -2.6865 1.8638 2.4028 2.6796 2.7771 - 3.0937 3.7769 3.8712 4.0448 4.3363 6.8187 8.0314 8.4657 - 9.7116 10.1803 10.5062 10.6142 10.8961 11.4975 11.8115 12.0758 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622 0.3450 ( 15106 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2246 -7.1199 -6.8576 -6.8125 - -3.0413 -3.0357 -3.0212 -2.8307 2.0439 2.5336 2.6907 2.8326 - 3.0081 3.8519 3.9321 4.1700 4.4840 6.7157 7.3307 8.2570 - 9.6147 10.2171 10.4063 10.5199 10.9560 11.4959 12.0967 12.2063 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622 0.4451 ( 15100 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5834 -19.5789 -16.2245 -7.0850 -6.8477 -6.8448 - -3.0438 -3.0367 -3.0289 -2.9168 2.1358 2.4892 2.7430 2.8163 - 3.1450 3.8881 3.9407 4.2554 4.7055 6.5549 6.8138 8.1903 - 9.5716 10.2316 10.3751 10.4682 10.9883 11.4759 12.1676 12.3025 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0007 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622-0.4556 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2245 -7.0913 -6.8617 -6.8226 - -3.0449 -3.0381 -3.0291 -2.9198 2.1629 2.4652 2.7137 2.8251 - 3.1682 3.9038 3.9508 4.2459 4.7025 6.5248 6.8514 8.1632 - 9.5757 10.2260 10.4098 10.4351 10.9496 11.4668 12.1448 12.3132 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0006 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622-0.3555 ( 15112 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2246 -7.1330 -6.8654 -6.7868 - -3.0422 -3.0374 -3.0250 -2.8396 2.1414 2.4180 2.6299 2.8351 - 3.0975 3.8789 3.9815 4.1452 4.4701 6.6890 7.3870 8.1709 - 9.6218 10.2447 10.4293 10.4512 10.8969 11.4519 12.0116 12.0931 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622-0.2554 ( 15134 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1831 -6.8667 -6.7526 - -3.0345 -3.0344 -3.0184 -2.6994 2.0947 2.1133 2.6108 2.8725 - 3.1381 3.7960 3.9500 4.0240 4.3125 6.8065 8.1752 8.2482 - 9.7188 10.2495 10.4482 10.5576 10.8867 11.3437 11.8536 11.9398 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622-0.1553 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2249 -7.2233 -6.8677 -6.7295 - -3.0284 -3.0262 -3.0135 -2.5419 1.7016 2.0818 2.6268 2.9756 - 3.2503 3.6162 3.8368 3.9616 4.2661 6.8971 8.2616 9.0078 - 9.8842 10.2629 10.4263 10.7090 11.0057 11.0775 11.5997 11.8849 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.2622-0.0553 ( 15123 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2440 -6.8684 -6.7203 - 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- occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622 0.1422 ( 15108 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2250 -7.2645 -6.8635 -6.7076 - -3.0262 -3.0172 -3.0099 -2.3775 1.4592 1.9251 2.6986 2.9702 - 3.4182 3.5675 3.7058 3.8220 4.1964 6.9855 8.8640 9.3010 - 9.8635 10.1331 10.3925 10.6631 11.0384 11.1519 11.3352 11.5985 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622 0.2423 ( 15114 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.2165 -6.8608 -6.7474 - -3.0303 -3.0232 -3.0095 -2.5312 1.5912 2.2522 2.6148 2.9274 - 3.2614 3.6018 3.7501 3.9961 4.2697 6.9099 8.2339 9.1158 - 9.8658 10.2095 10.4627 10.7563 11.0280 11.1841 11.6125 11.8053 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622 0.3424 ( 15104 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5931 -19.5835 -19.5834 -19.5789 -16.2247 -7.1595 -6.8557 -6.7979 - -3.0333 -3.0270 -3.0120 -2.6718 1.6899 2.4547 2.6888 2.9388 - 3.1456 3.6148 3.7539 4.1594 4.4266 6.8160 7.4240 9.0603 - 9.9077 10.3341 10.5537 10.6262 11.0799 11.4886 11.7557 12.0386 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622 0.4425 ( 15116 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1600 -39.1600 -39.1600 -19.5932 - 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9.9594 10.3747 10.6326 10.7304 10.9377 11.5877 11.8983 12.0900 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0001 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622-0.3581 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2247 -7.1664 -6.8686 -6.7746 - -3.0327 -3.0279 -3.0162 -2.6794 1.7415 2.3810 2.6553 2.9464 - 3.1929 3.6412 3.7892 4.1322 4.4335 6.7869 7.4592 8.9912 - 9.9359 10.3584 10.5295 10.6481 11.0118 11.3445 11.7679 11.9614 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622-0.2580 ( 15119 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5932 - -19.5932 -19.5835 -19.5835 -19.5789 -16.2249 -7.2233 -6.8677 -6.7295 - -3.0284 -3.0262 -3.0135 -2.5419 1.7016 2.0818 2.6268 2.9756 - 3.2503 3.6162 3.8368 3.9616 4.2661 6.8971 8.2616 9.0078 - 9.8842 10.2629 10.4263 10.7090 11.0057 11.0775 11.5997 11.8850 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622-0.1580 ( 15144 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5836 -19.5789 -16.2250 -7.2692 -6.8669 -6.6963 - -3.0245 -3.0217 -3.0109 -2.3874 1.6569 1.6961 2.6904 3.0496 - 3.3438 3.5601 3.7958 3.8306 4.1846 6.9787 8.8891 9.1850 - 9.8730 10.1958 10.3332 10.5562 11.0496 11.1467 11.3186 11.7540 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.1622-0.0579 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2935 -6.8661 -6.6808 - -3.0208 -3.0187 -3.0097 -2.2790 1.4047 1.6832 2.7270 3.1587 - 3.3761 3.5225 3.7190 3.7490 4.1649 7.0223 9.0027 9.5885 - 9.9098 10.1227 10.3241 10.3805 11.0715 11.2579 11.3260 11.6118 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621 0.0396 ( 15118 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5834 -19.5789 -16.2252 -7.3209 -6.8628 -6.6617 - -3.0200 -3.0170 -3.0081 -2.1734 1.3226 1.5032 2.7733 3.2279 - 3.4245 3.5608 3.6126 3.7001 4.1188 7.0610 9.2446 9.7757 - 9.8713 10.0252 10.2790 10.2990 10.9827 11.2952 11.3719 11.6287 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621 0.1396 ( 15130 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2943 -6.8611 -6.6853 - -3.0219 -3.0158 -3.0111 -2.2782 1.3489 1.7625 2.6922 3.1385 - 3.4207 3.5787 3.6357 3.7666 4.1558 7.0259 8.9921 9.6103 - 9.9153 10.1170 10.3290 10.4342 11.0173 11.2460 11.3288 11.5263 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621 0.2397 ( 15140 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2455 -6.8587 -6.7289 - -3.0246 -3.0190 -3.0106 -2.4309 1.4072 2.1632 2.5817 3.1072 - 3.3987 3.4551 3.6181 3.9795 4.2428 6.9566 8.2831 9.5660 - 10.0534 10.2565 10.4258 10.6992 10.9796 11.2353 11.3439 11.6853 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621 0.3398 ( 15128 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5836 -19.5835 -19.5789 -16.2248 -7.1858 -6.8544 -6.7854 - -3.0270 -3.0222 -3.0094 -2.5681 1.4681 2.4108 2.6559 3.1088 - 3.3171 3.4029 3.5832 4.1545 4.4019 6.8691 7.4694 9.5760 - 10.1871 10.4464 10.5634 10.8823 11.0562 11.3216 11.4596 11.7967 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621 0.4398 ( 15126 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5931 -19.5835 -19.5835 -19.5789 -16.2247 -7.1380 -6.8497 -6.8332 - -3.0281 -3.0233 -3.0091 -2.6472 1.5096 2.3750 2.8888 3.1097 - 3.2802 3.4025 3.5318 4.2463 4.6089 6.7206 6.9645 9.5824 - 10.2551 10.4804 10.7667 11.0034 11.3414 11.4600 11.5109 11.7283 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621-0.4608 ( 15125 PWs) bands (ev): - - -39.3708 -39.3707 -39.3707 -39.3139 -39.3138 -39.3138 -39.3135 -39.3134 - -39.3133 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2247 -7.1366 -6.8682 -6.8159 - -3.0284 -3.0227 -3.0099 -2.6472 1.5144 2.3699 2.8840 3.0878 - 3.2971 3.4349 3.5120 4.2355 4.6207 6.6847 7.0015 9.5735 - 10.2649 10.4763 10.7851 11.1001 11.2009 11.3823 11.5612 11.7720 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621-0.3607 ( 15129 PWs) bands (ev): - - -39.3708 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1600 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2248 -7.1837 -6.8707 -6.7708 - -3.0272 -3.0208 -3.0114 -2.5682 1.4841 2.3660 2.6779 3.0878 - 3.3168 3.4379 3.5877 4.1264 4.4242 6.8413 7.5052 9.5508 - 10.1880 10.5001 10.5650 10.8744 11.0074 11.3098 11.5006 11.7416 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621-0.2607 ( 15123 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3140 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1612 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5932 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2249 -7.2440 -6.8684 -6.7203 - -3.0239 -3.0190 -3.0121 -2.4315 1.4388 2.0849 2.6338 3.1048 - 3.3564 3.4658 3.6705 3.9430 4.2613 6.9473 8.3061 9.5310 - 10.0558 10.2577 10.4622 10.6123 11.0287 11.2397 11.3745 11.6810 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621-0.1606 ( 15134 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3132 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2251 -7.2935 -6.8661 -6.6808 - -3.0208 -3.0187 -3.0097 -2.2790 1.4047 1.6832 2.7270 3.1587 - 3.3761 3.5225 3.7190 3.7490 4.1649 7.0223 9.0027 9.5885 - 9.9098 10.1227 10.3241 10.3805 11.0715 11.2579 11.3260 11.6118 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - k = 0.4500-0.0621-0.0605 ( 15122 PWs) bands (ev): - - -39.3709 -39.3707 -39.3706 -39.3141 -39.3138 -39.3137 -39.3135 -39.3134 - -39.3131 -39.1611 -39.1611 -39.1611 -39.1601 -39.1600 -39.1599 -19.5933 - -19.5932 -19.5836 -19.5835 -19.5789 -16.2252 -7.3207 -6.8643 -6.6603 - -3.0191 -3.0188 -3.0073 -2.1738 1.4059 1.4126 2.7853 3.2744 - 3.3608 3.5587 3.5776 3.7509 4.1201 7.0599 9.2400 9.8128 - 9.8328 10.0195 10.2687 10.2889 11.0121 11.2873 11.3738 11.6968 - - occupation numbers - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 - 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 - 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 - - the Fermi energy is 5.1371 ev - -! total energy = -815.45288917 Ry - Harris-Foulkes estimate = -815.45288916 Ry - estimated scf accuracy < 6.9E-09 Ry - - The total energy is the sum of the following terms: - - one-electron contribution = -537.68112998 Ry - hartree contribution = 273.83460219 Ry - xc contribution = -108.90549918 Ry - ewald contribution = -442.70089297 Ry - smearing contrib. (-TS) = 0.00003076 Ry - - convergence has been achieved in 9 iterations - - Writing output data file pwo.save - - init_run : 15.66s CPU 15.92s WALL ( 1 calls) - electrons : 511.31s CPU 515.33s WALL ( 1 calls) - - Called by init_run: - wfcinit : 13.80s CPU 14.06s WALL ( 1 calls) - wfcinit:atom : 0.27s CPU 0.26s WALL ( 500 calls) - wfcinit:wfcr : 12.84s CPU 13.09s WALL ( 500 calls) - potinit : 0.76s CPU 0.76s WALL ( 1 calls) - - Called by electrons: - c_bands : 454.66s CPU 457.90s WALL ( 10 calls) - sum_band : 56.49s CPU 57.24s WALL ( 10 calls) - v_of_rho : 0.13s CPU 0.13s WALL ( 10 calls) - v_h : 0.00s CPU 0.00s WALL ( 10 calls) - v_xc : 0.13s CPU 0.13s WALL ( 10 calls) - mix_rho : 0.02s CPU 0.02s WALL ( 10 calls) - - Called by c_bands: - init_us_2 : 7.93s CPU 8.09s WALL ( 10500 calls) - cegterg : 430.76s CPU 433.83s WALL ( 5000 calls) - - Called by sum_band: - - Called by *egterg: - h_psi : 279.87s CPU 282.91s WALL ( 21678 calls) - g_psi : 2.36s CPU 2.34s WALL ( 16178 calls) - cdiaghg : 89.70s CPU 89.78s WALL ( 20678 calls) - cegterg:over : 20.21s CPU 20.27s WALL ( 16178 calls) - cegterg:upda : 23.00s CPU 23.00s WALL ( 16178 calls) - cegterg:last : 8.72s CPU 8.73s WALL ( 5000 calls) - cdiaghg:chol : 4.68s CPU 4.66s WALL ( 20678 calls) - cdiaghg:inve : 3.84s CPU 3.83s WALL ( 20678 calls) - cdiaghg:para : 6.80s CPU 6.79s WALL ( 41356 calls) - - Called by h_psi: - h_psi:pot : 276.75s CPU 279.80s WALL ( 21678 calls) - h_psi:calbec : 17.51s CPU 17.61s WALL ( 21678 calls) - vloc_psi : 248.21s CPU 251.10s WALL ( 21678 calls) - add_vuspsi : 11.01s CPU 11.01s WALL ( 21678 calls) - - General routines - calbec : 17.49s CPU 17.58s WALL ( 21678 calls) - fft : 0.14s CPU 0.15s WALL ( 112 calls) - fftw : 262.46s CPU 266.10s WALL ( 1443654 calls) - davcio : 0.03s CPU 0.11s WALL ( 500 calls) - - Parallel routines - fft_scatter : 131.51s CPU 132.19s WALL ( 1443766 calls) - - PWSCF : 8m48.53s CPU 8m57.46s WALL - - - This run was terminated on: 0:30:46 12Apr2017 - -=------------------------------------------------------------------------------= - JOB DONE. -=------------------------------------------------------------------------------=